lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCNc1snnc1C(N)=O
InChIKey: VEUYOIRIFIDNFH-UHFFFAOYSA-N
Target: Scaffold protein ILK (SINGLE PROTEIN), Homo sapiens
UniProt: Q13418
Assay: Inhibition of full length recombinant GST-tagged ILK (unknown origin) expressed in baculovirus infected insect Sf9 cells using CKRRRLASLR as substrate incubated for 15 mins by scintillation counting analysis in presence of radiolabelled phosphate
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 172.21, ALogP 0.07, HBA 5, HBD 2, PSA 80.9, QED 0.68
Compound (SMILES): CCCCCCNc1snnc1C(N)=O
InChIKey: HEBJAQSCKKOMTD-UHFFFAOYSA-N
Target: Scaffold protein ILK (SINGLE PROTEIN), Homo sapiens
UniProt: Q13418
Assay: Inhibition of full length recombinant GST-tagged ILK (unknown origin) expressed in baculovirus infected insect Sf9 cells using CKRRRLASLR as substrate incubated for 15 mins by scintillation counting analysis in presence of radiolabelled phosphate
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 228.32, ALogP 1.63, HBA 5, HBD 2, PSA 80.9, QED 0.69
Compound (SMILES): CN(c1ccccc1)c1snnc1C(N)=O
InChIKey: SDDFLIPEDQDJHR-UHFFFAOYSA-N
Target: Scaffold protein ILK (SINGLE PROTEIN), Homo sapiens
UniProt: Q13418
Assay: Inhibition of full length recombinant GST-tagged ILK (unknown origin) expressed in baculovirus infected insect Sf9 cells using CKRRRLASLR as substrate incubated for 15 mins by scintillation counting analysis in presence of radiolabelled phosphate
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 234.28, ALogP 1.4, HBA 5, HBD 1, PSA 72.11, QED 0.87
Compound (SMILES): CC(=O)NC(=O)c1nnsc1Nc1ccccc1
InChIKey: BNDXVPHCKRQQAO-UHFFFAOYSA-N
Target: Scaffold protein ILK (SINGLE PROTEIN), Homo sapiens
UniProt: Q13418
Assay: Inhibition of full length recombinant GST-tagged ILK (unknown origin) expressed in baculovirus infected insect Sf9 cells using CKRRRLASLR as substrate incubated for 15 mins by scintillation counting analysis in presence of radiolabelled phosphate
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 262.29, ALogP 1.56, HBA 6, HBD 2, PSA 83.98, QED 0.88
Compound (SMILES): NCc1nnsc1Nc1ccccc1
InChIKey: GTEATIAGACABDQ-UHFFFAOYSA-N
Target: Scaffold protein ILK (SINGLE PROTEIN), Homo sapiens
UniProt: Q13418
Assay: Inhibition of full length recombinant GST-tagged ILK (unknown origin) expressed in baculovirus infected insect Sf9 cells using CKRRRLASLR as substrate incubated for 15 mins by scintillation counting analysis in presence of radiolabelled phosphate
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 206.27, ALogP 1.74, HBA 5, HBD 2, PSA 63.83, QED 0.8
Compound (SMILES): NC(=O)c1nnsc1Nc1ccccc1
InChIKey: ONVQBYZVYMROCS-UHFFFAOYSA-N
Target: Scaffold protein ILK (SINGLE PROTEIN), Homo sapiens
UniProt: Q13418
Assay: Inhibition of full length recombinant GST-tagged ILK (unknown origin) expressed in baculovirus infected insect Sf9 cells using CKRRRLASLR as substrate incubated for 15 mins by scintillation counting analysis in presence of radiolabelled phosphate
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 220.26, ALogP 1.38, HBA 5, HBD 2, PSA 80.9, QED 0.82
Compound (SMILES): O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc2ncccc2c1
InChIKey: GDRMNTFZVIQOBU-BOPFTXTBSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43781
Assay: Inhibition of GST/His6-tagged human YAK3 (124 to 526 residues) expressed in baculovirus infected insect Sf9 cells using biotinyl-LGGRDSRAGS*PMARR-OH as substrate after 2 hrs by scintillation proximity assay in presence of [gamma33P]ATP
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 410.3, ALogP 4.89, HBA 4, HBD 1, PSA 54.35, QED 0.61
Compound (SMILES): Nc1ccc(Cl)c(NC2=NC(=O)/C(=C/c3ccc4ncccc4c3)S2)c1
InChIKey: NCUXQKKLXYTAQV-MFOYZWKCSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43781
Assay: Inhibition of GST/His6-tagged human YAK3 (124 to 526 residues) expressed in baculovirus infected insect Sf9 cells using biotinyl-LGGRDSRAGS*PMARR-OH as substrate after 2 hrs by scintillation proximity assay in presence of [gamma33P]ATP
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 380.86, ALogP 4.55, HBA 5, HBD 2, PSA 80.37, QED 0.5
Compound (SMILES): O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIKey: FITCFFSJDIRDTL-BOPFTXTBSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43781
Assay: Inhibition of GST/His6-tagged human YAK3 (124 to 526 residues) expressed in baculovirus infected insect Sf9 cells using biotinyl-LGGRDSRAGS*PMARR-OH as substrate after 2 hrs by scintillation proximity assay in presence of [gamma33P]ATP
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 365.85, ALogP 4.78, HBA 4, HBD 1, PSA 54.35, QED 0.66
Compound (SMILES): O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc2c(c1)CCO2
InChIKey: BLTWRBXFEIHSMD-YBEGLDIGSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43781
Assay: Inhibition of GST/His6-tagged human YAK3 (124 to 526 residues) expressed in baculovirus infected insect Sf9 cells using biotinyl-LGGRDSRAGS*PMARR-OH as substrate after 2 hrs by scintillation proximity assay in presence of [gamma33P]ATP
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 390.39, ALogP 4.53, HBA 4, HBD 1, PSA 50.69, QED 0.77
Compound (SMILES): CN(C)CC/N=C1/NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIKey: BUABATYPAYQOMQ-PTNGSMBKSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43781
Assay: Inhibition of GST/His6-tagged human YAK3 (124 to 526 residues) expressed in baculovirus infected insect Sf9 cells using biotinyl-LGGRDSRAGS*PMARR-OH as substrate after 2 hrs by scintillation proximity assay in presence of [gamma33P]ATP
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 326.43, ALogP 2.36, HBA 5, HBD 1, PSA 57.59, QED 0.88
Compound (SMILES): CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F
InChIKey: NINBBPOPLGIVTA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Tec (SINGLE PROTEIN), Homo sapiens
UniProt: P42680
Assay: Inhibition of TEC (unknown origin)
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 380.38, ALogP 2.62, HBA 5, HBD 2, PSA 104.81, QED 0.64
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F)c1c[nH]c2ncncc12
InChIKey: PZOQSUYOGAZBNF-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Tec (SINGLE PROTEIN), Homo sapiens
UniProt: P42680
Assay: Inhibition of TEC (unknown origin)
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 482.39, ALogP 4.29, HBA 5, HBD 2, PSA 104.81, QED 0.33
Compound (SMILES): CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncncc23)c1F
InChIKey: KUMWEOKYYMWAOB-UHFFFAOYSA-N
Target: RAF proto-oncogene serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P04049
Assay: Inhibition of human C-raf using biotin-MEK1 substrate incubated for 1 hr
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 362.39, ALogP 2.48, HBA 5, HBD 2, PSA 104.81, QED 0.66
Compound (SMILES): CCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F
InChIKey: DMUCACNEVTYOKF-UHFFFAOYSA-N
Target: RAF proto-oncogene serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P04049
Assay: Inhibition of human C-raf using biotin-MEK1 substrate incubated for 1 hr
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 366.35, ALogP 2.23, HBA 5, HBD 2, PSA 104.81, QED 0.67
Compound (SMILES): CC(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F
InChIKey: RIXBELCZPVCZHD-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of KDR (unknown origin) by FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 380.38, ALogP 2.62, HBA 5, HBD 2, PSA 104.81, QED 0.66
Compound (SMILES): CCC(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F
InChIKey: CTWASYGJJOSPKW-UHFFFAOYSA-N
Target: RAF proto-oncogene serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P04049
Assay: Inhibition of human C-raf using biotin-MEK1 substrate incubated for 1 hr
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 394.4, ALogP 3.01, HBA 5, HBD 2, PSA 104.81, QED 0.63
Compound (SMILES): CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F
InChIKey: AEMCSPSTQZQJSA-UHFFFAOYSA-N
Target: Mast/stem cell growth factor receptor Kit (SINGLE PROTEIN), Homo sapiens
UniProt: P10721
Assay: Inhibition of Kit (unknown origin) expressed in Escherichia coli
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 394.4, ALogP 2.86, HBA 5, HBD 2, PSA 104.81, QED 0.63
Compound (SMILES): CCCC(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F
InChIKey: XUAKHGDXKXJYFD-UHFFFAOYSA-N
Target: Mast/stem cell growth factor receptor Kit (SINGLE PROTEIN), Homo sapiens
UniProt: P10721
Assay: Inhibition of Kit (unknown origin) expressed in Escherichia coli
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 408.43, ALogP 3.4, HBA 5, HBD 2, PSA 104.81, QED 0.58
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)C2CCCC2)c1F)c1c[nH]c2ncncc12
InChIKey: ISMBRRPDCJTJQN-UHFFFAOYSA-N
Target: Mast/stem cell growth factor receptor Kit (SINGLE PROTEIN), Homo sapiens
UniProt: P10721
Assay: Inhibition of Kit (unknown origin) expressed in Escherichia coli
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 406.41, ALogP 3.15, HBA 5, HBD 2, PSA 104.81, QED 0.63
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)C2CCCCC2)c1F)c1c[nH]c2ncncc12
InChIKey: SASAAWYRQFDQHR-UHFFFAOYSA-N
Target: Mast/stem cell growth factor receptor Kit (SINGLE PROTEIN), Homo sapiens
UniProt: P10721
Assay: Inhibition of Kit (unknown origin) expressed in Escherichia coli
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 420.44, ALogP 3.54, HBA 5, HBD 2, PSA 104.81, QED 0.61
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)CC(F)(F)F)c1F)c1c[nH]c2ncncc12
InChIKey: GWIUFOLAUQBTGT-UHFFFAOYSA-N
Target: RAF proto-oncogene serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P04049
Assay: Inhibition of human C-raf using biotin-MEK1 substrate incubated for 1 hr
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 420.32, ALogP 2.77, HBA 5, HBD 2, PSA 104.81, QED 0.49
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncncc12
InChIKey: YDCUMQYWHIIQBG-UHFFFAOYSA-N
Target: Mast/stem cell growth factor receptor Kit (SINGLE PROTEIN), Homo sapiens
UniProt: P10721
Assay: Inhibition of Kit (unknown origin) expressed in Escherichia coli
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 434.35, ALogP 3.16, HBA 5, HBD 2, PSA 104.81, QED 0.46
Compound (SMILES): CN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F
InChIKey: NNQNWHSVIZPCDA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of KDR (unknown origin) by FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 381.36, ALogP 1.69, HBA 5, HBD 2, PSA 108.05, QED 0.65
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F)c1c[nH]c2ncncc12
InChIKey: JNWABAXVUQVDAF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of KDR (unknown origin) by FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 407.4, ALogP 2.22, HBA 5, HBD 2, PSA 108.05, QED 0.63
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)N2CCOCC2)c1F)c1c[nH]c2ncncc12
InChIKey: KLJWTCJVQRIKLM-UHFFFAOYSA-N
Target: Mast/stem cell growth factor receptor Kit (SINGLE PROTEIN), Homo sapiens
UniProt: P10721
Assay: Inhibition of Kit (unknown origin) expressed in Escherichia coli
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 423.4, ALogP 1.46, HBA 6, HBD 2, PSA 117.28, QED 0.6
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)c2ccccn2)c1F)c1c[nH]c2ncncc12
InChIKey: KDXAZDOPVLUKQU-UHFFFAOYSA-N
Target: RAF proto-oncogene serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P04049
Assay: Inhibition of human C-raf using biotin-MEK1 substrate incubated for 1 hr
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 415.38, ALogP 2.66, HBA 6, HBD 2, PSA 117.7, QED 0.48
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)c2ccccc2F)c1F)c1c[nH]c2ncncc12
InChIKey: VOPWYDKYPKPZAM-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of KDR (unknown origin) by FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 432.38, ALogP 3.41, HBA 5, HBD 2, PSA 104.81, QED 0.47
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncncc12
InChIKey: YZPVZLONZRILKF-UHFFFAOYSA-N
Target: RAF proto-oncogene serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P04049
Assay: Inhibition of human C-raf using biotin-MEK1 substrate incubated for 1 hr
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 432.38, ALogP 3.41, HBA 5, HBD 2, PSA 104.81, QED 0.47
Compound (SMILES): O=C(c1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1c[nH]c2ncncc12
InChIKey: WIKFKAUWDRVREJ-UHFFFAOYSA-N
Target: Mast/stem cell growth factor receptor Kit (SINGLE PROTEIN), Homo sapiens
UniProt: P10721
Assay: Inhibition of Kit (unknown origin) expressed in Escherichia coli
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 450.37, ALogP 3.55, HBA 5, HBD 2, PSA 104.81, QED 0.36
Compound (SMILES): NCc1coc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4F)nc23)c1
InChIKey: KXHLBGNOLXGINN-KRWDZBQOSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 474.57, ALogP 4.59, HBA 8, HBD 3, PSA 115.88, QED 0.3
Compound (SMILES): CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cccc(F)c1
InChIKey: DGUHVYPZTODZOA-QHCPKHFHSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 511.67, ALogP 6.84, HBA 6, HBD 2, PSA 76.72, QED 0.25
Compound (SMILES): CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cn[nH]c1
InChIKey: YSHXEXYPFQYRKL-FQEVSTJZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 483.65, ALogP 5.42, HBA 7, HBD 3, PSA 105.4, QED 0.29
Compound (SMILES): Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccc(F)nc1
InChIKey: OGTIYPUHQLHXMX-FQEVSTJZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 470.58, ALogP 5.24, HBA 7, HBD 2, PSA 89.61, QED 0.32
Compound (SMILES): COc1ccncc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: LTUPPWUCUBRYNV-FQEVSTJZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 482.61, ALogP 5.11, HBA 8, HBD 2, PSA 98.84, QED 0.32
Compound (SMILES): COc1cccc(OC(C)C)c1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: JIUXSRLVIPBLRJ-QHCPKHFHSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 539.71, ALogP 6.51, HBA 8, HBD 2, PSA 95.18, QED 0.21
Compound (SMILES): COc1cccc(-c2c(C(C)(C)C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)c1
InChIKey: QPCOMCGDLNLLAZ-QHCPKHFHSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 523.71, ALogP 6.71, HBA 7, HBD 2, PSA 85.95, QED 0.24
Compound (SMILES): CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccc(F)cc1
InChIKey: RVAKLTWPQLJJMD-QHCPKHFHSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 511.67, ALogP 6.84, HBA 6, HBD 2, PSA 76.72, QED 0.25
Compound (SMILES): CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccc(F)nc1
InChIKey: KILFLMQHMKIAGX-NRFANRHFSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 512.66, ALogP 6.23, HBA 7, HBD 2, PSA 89.61, QED 0.25
Compound (SMILES): CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cccc(N)c1
InChIKey: DDPUQQFPJLJBRO-QHCPKHFHSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 508.7, ALogP 6.28, HBA 7, HBD 3, PSA 102.74, QED 0.22
Compound (SMILES): CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccoc1
InChIKey: RSQHYVQVWHUXNO-NRFANRHFSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 483.64, ALogP 6.29, HBA 7, HBD 2, PSA 89.86, QED 0.28
Compound (SMILES): Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cc(F)ccc1OC(C)C
InChIKey: VSIKMNXYNLTFAN-QHCPKHFHSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 527.67, ALogP 6.64, HBA 7, HBD 2, PSA 85.95, QED 0.22
Compound (SMILES): Cc1ccc(-c2c(C(C)(C)C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)s1
InChIKey: RCVPMEIPVMTONO-NRFANRHFSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 513.74, ALogP 7.07, HBA 7, HBD 2, PSA 76.72, QED 0.24
Compound (SMILES): CNc1ccc(-c2c(C(C)(C)C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)cc1
InChIKey: ZDUHEFRORIWXJS-QHCPKHFHSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 522.72, ALogP 6.74, HBA 7, HBD 3, PSA 88.75, QED 0.21
Compound (SMILES): Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccccc1
InChIKey: XQBOIQODHHXSAM-QFIPXVFZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 451.6, ALogP 5.71, HBA 6, HBD 2, PSA 76.72, QED 0.33
Compound (SMILES): COc1ccc(C)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: NWORBCQZEFQANW-QFIPXVFZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 495.65, ALogP 6.03, HBA 7, HBD 2, PSA 85.95, QED 0.27
Compound (SMILES): CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccccc1
InChIKey: RKXZQWZLXMRVGI-QHCPKHFHSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 493.68, ALogP 6.7, HBA 6, HBD 2, PSA 76.72, QED 0.26
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccccc3Cl)c(C(F)(F)F)sc12)Cc1ccccc1
InChIKey: JJUDINBKYZSNDH-SFHVURJKSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 540.01, ALogP 7.07, HBA 6, HBD 2, PSA 76.72, QED 0.23
Compound (SMILES): COc1cccc(Cl)c1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: LTGAANKVBBAMLN-FQEVSTJZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 516.07, ALogP 6.37, HBA 7, HBD 2, PSA 85.95, QED 0.25
Compound (SMILES): COc1cccc(OC)c1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: QFCXXGHYMPUOCN-NRFANRHFSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 511.65, ALogP 5.73, HBA 8, HBD 2, PSA 95.18, QED 0.26
Compound (SMILES): COc1cccc(OCC(C)C)c1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: QDUAQDHVYAWNHG-DEOSSOPVSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 553.73, ALogP 6.75, HBA 8, HBD 2, PSA 95.18, QED 0.19
Compound (SMILES): COc1cnccc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: WOMDRESMUCSKOT-FQEVSTJZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 482.61, ALogP 5.11, HBA 8, HBD 2, PSA 98.84, QED 0.32
Compound (SMILES): Cc1nc(C)c(-c2c(C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)s1
InChIKey: XRMHWAADLMXPBS-FQEVSTJZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 486.67, ALogP 5.78, HBA 8, HBD 2, PSA 89.61, QED 0.3
Compound (SMILES): Cc1ccc(OC(C)C)c(-c2c(C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)c1
InChIKey: VQDQGFDRPVJYEG-DEOSSOPVSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 523.71, ALogP 6.81, HBA 7, HBD 2, PSA 85.95, QED 0.22
Compound (SMILES): Cc1ncccc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: OKXROHBIUZHUFK-NRFANRHFSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 466.61, ALogP 5.41, HBA 7, HBD 2, PSA 89.61, QED 0.33
Compound (SMILES): Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cc(Cl)ccc1OC(C)C
InChIKey: JFKOKKMSZFDIKT-QHCPKHFHSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 544.12, ALogP 7.15, HBA 7, HBD 2, PSA 85.95, QED 0.21
Compound (SMILES): COc1ccc(C(C)(C)C)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: WFELJEDTHRYJDR-DEOSSOPVSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 537.73, ALogP 7.02, HBA 7, HBD 2, PSA 85.95, QED 0.22
Compound (SMILES): COc1ccc(C(C)C)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: OTUBWGLHXFVKSB-DEOSSOPVSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 523.71, ALogP 6.84, HBA 7, HBD 2, PSA 85.95, QED 0.22
Compound (SMILES): CCOc1ccc(Cl)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: DAGHQYRKYCDRFR-QFIPXVFZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 530.1, ALogP 6.76, HBA 7, HBD 2, PSA 85.95, QED 0.22
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: YALHQTLZGQRBQK-NRFANRHFSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 549.62, ALogP 6.74, HBA 7, HBD 2, PSA 85.95, QED 0.22
Compound (SMILES): COc1ncccc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: KTMSJIOAGANZNE-FQEVSTJZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 482.61, ALogP 5.11, HBA 8, HBD 2, PSA 98.84, QED 0.32
Compound (SMILES): COc1ccc(OC)c(-c2c(C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)c1
InChIKey: WPOPOBDJGSNXES-NRFANRHFSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 511.65, ALogP 5.73, HBA 8, HBD 2, PSA 95.18, QED 0.26
Compound (SMILES): COc1ccc(F)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: CTZBOTLNBJETQH-NRFANRHFSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 499.62, ALogP 5.86, HBA 7, HBD 2, PSA 85.95, QED 0.28
Compound (SMILES): CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccn[nH]1
InChIKey: KHQYZIOUHMRZAS-IBGZPJMESA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 483.65, ALogP 5.42, HBA 7, HBD 3, PSA 105.4, QED 0.29
Compound (SMILES): Cc1c(-c2ccnn2C)sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
InChIKey: SVJMDUCZJDSJNH-CQSZACIVSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 391.5, ALogP 3.24, HBA 8, HBD 2, PSA 80.55, QED 0.56
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(NC(=O)C3CCCC3)csc12)Cc1ccccc1
InChIKey: KXMSXWRJCKTLFO-FQEVSTJZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 472.62, ALogP 4.86, HBA 7, HBD 3, PSA 105.82, QED 0.34
Compound (SMILES): CCC(C)(C)C(=O)Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
InChIKey: WQCPPUQCXKXBDV-CQSZACIVSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 410.55, ALogP 3.9, HBA 7, HBD 3, PSA 91.83, QED 0.57
Compound (SMILES): CCC(C)(C)C(=O)Nc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: QJHDSIQFGFDGBP-IBGZPJMESA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 474.63, ALogP 5.11, HBA 7, HBD 3, PSA 105.82, QED 0.31
Compound (SMILES): O=C(Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12)C1CCCCC1
InChIKey: IGLBOWLFLDJWMI-MRXNPFEDSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 422.56, ALogP 4.05, HBA 7, HBD 3, PSA 91.83, QED 0.57
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(NC(=O)C3CCCCC3)csc12)Cc1ccccc1
InChIKey: RBUWZWIEGJOGFS-NRFANRHFSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 486.65, ALogP 5.25, HBA 7, HBD 3, PSA 105.82, QED 0.31
Compound (SMILES): O=C(Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12)C1CCCC1
InChIKey: YDSUKUHCWZWRJZ-OAHLLOKOSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 408.53, ALogP 3.66, HBA 7, HBD 3, PSA 91.83, QED 0.6
Compound (SMILES): Cc1csc2c(OC[C@H]3CCCN3)nc(-c3ccncc3)nc12
InChIKey: HVOGMSRJBLZKNB-CYBMUJFWSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant human PKC-iota kinase domain expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 25 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 326.43, ALogP 3.19, HBA 6, HBD 1, PSA 59.93, QED 0.8
Compound (SMILES): N[C@@H](COc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12)Cc1ccccc1
InChIKey: UKMSVTYHKLAMPK-QGZVFWFLSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant human PKC-iota kinase domain expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 25 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 446.96, ALogP 5.51, HBA 6, HBD 1, PSA 73.92, QED 0.37
Compound (SMILES): Clc1cccc2sc3c(OC[C@H]4CCCN4)nc(-c4ccncc4)nc3c12
InChIKey: CVGXKIHRXVZAKE-CYBMUJFWSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant human PKC-iota kinase domain expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 25 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 396.9, ALogP 4.69, HBA 6, HBD 1, PSA 59.93, QED 0.54
Compound (SMILES): Clc1cccc2sc3c(OC[C@@H]4CCCN4)nc(-c4ccncc4)nc3c12
InChIKey: CVGXKIHRXVZAKE-ZDUSSCGKSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant human PKC-iota kinase domain expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 25 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 396.9, ALogP 4.69, HBA 6, HBD 1, PSA 59.93, QED 0.54
Compound (SMILES): Cc1csc2c(OC[C@@H]3CCCN3)nc(-c3ccncc3)nc12
InChIKey: HVOGMSRJBLZKNB-ZDUSSCGKSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant human PKC-iota kinase domain expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 25 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 326.43, ALogP 3.19, HBA 6, HBD 1, PSA 59.93, QED 0.8
Compound (SMILES): Cc1csc2c(OC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: NXIGYZMSZLTTFL-KRWDZBQOSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant human PKC-iota kinase domain expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 25 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 376.49, ALogP 4.01, HBA 6, HBD 1, PSA 73.92, QED 0.55
Compound (SMILES): Cc1csc2c(OC[C@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: NXIGYZMSZLTTFL-QGZVFWFLSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant human PKC-iota kinase domain expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 25 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 376.49, ALogP 4.01, HBA 6, HBD 1, PSA 73.92, QED 0.55
Compound (SMILES): Cc1csc2c(O[C@H]3CCNC3)nc(-c3ccncc3)nc12
InChIKey: ZPRMQHLAOMRHMH-LBPRGKRZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant human PKC-iota kinase domain expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 25 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 312.4, ALogP 2.8, HBA 6, HBD 1, PSA 59.93, QED 0.81
Compound (SMILES): Cc1csc2c(O[C@@H]3CCNC3)nc(-c3ccncc3)nc12
InChIKey: ZPRMQHLAOMRHMH-GFCCVEGCSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant human PKC-iota kinase domain expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 25 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 312.4, ALogP 2.8, HBA 6, HBD 1, PSA 59.93, QED 0.81
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccccc3)csc12)Cc1ccccc1
InChIKey: JGKPLDAXQGHANW-FQEVSTJZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 452.59, ALogP 5.48, HBA 7, HBD 3, PSA 88.75, QED 0.29
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccccn3)csc12)Cc1ccccc1
InChIKey: BRPSSEVNNRZULI-IBGZPJMESA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 < 100 nM (pChEMBL 7)
Descriptors: MW 453.58, ALogP 4.87, HBA 8, HBD 3, PSA 101.64, QED 0.31
Compound (SMILES): c1ccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4)nc23)nc1
InChIKey: SCELUELGRZTJDT-CQSZACIVSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 389.49, ALogP 3.67, HBA 8, HBD 3, PSA 87.65, QED 0.48
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ncccn3)csc12)Cc1ccccc1
InChIKey: UPXLVVZLCMXYLV-SFHVURJKSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 454.56, ALogP 4.27, HBA 9, HBD 3, PSA 114.53, QED 0.32
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccncn3)csc12)Cc1ccccc1
InChIKey: UZFOVFGTJDJNQM-SFHVURJKSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 454.56, ALogP 4.27, HBA 9, HBD 3, PSA 114.53, QED 0.32
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccon3)csc12)Cc1ccccc1
InChIKey: KVXQBCWCIGPXEO-KRWDZBQOSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 < 100 nM (pChEMBL 7)
Descriptors: MW 443.54, ALogP 4.47, HBA 9, HBD 3, PSA 114.78, QED 0.32
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2F)nc2c(Nc3ccccc3)csc12)Cc1ccccc1
InChIKey: UJDJCHLHXBCJCC-SFHVURJKSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 470.58, ALogP 5.62, HBA 7, HBD 3, PSA 88.75, QED 0.27
Compound (SMILES): Cc1cccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)c1
InChIKey: ONDGXGVMQOFXPZ-OAHLLOKOSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 420.52, ALogP 4.72, HBA 7, HBD 3, PSA 74.76, QED 0.43
Compound (SMILES): Fc1ccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)cc1
InChIKey: FLPNHFFHOYCELN-CQSZACIVSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 424.48, ALogP 4.55, HBA 7, HBD 3, PSA 74.76, QED 0.44
Compound (SMILES): Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Nc3cccnc3)c2n1
InChIKey: PCHIOTIMAAPOCB-CYBMUJFWSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 407.48, ALogP 3.8, HBA 8, HBD 3, PSA 87.65, QED 0.46
Compound (SMILES): Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Nc3ccccn3)c2n1
InChIKey: XZLMCCYJBHTARH-GFCCVEGCSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 407.48, ALogP 3.8, HBA 8, HBD 3, PSA 87.65, QED 0.46
Compound (SMILES): Cc1cc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)no1
InChIKey: WMIZCAIHGHOHNE-LLVKDONJSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 411.47, ALogP 3.71, HBA 9, HBD 3, PSA 100.79, QED 0.46
Compound (SMILES): Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Nc3ccon3)c2n1
InChIKey: FKEJAGZKGNZZRS-SNVBAGLBSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 397.44, ALogP 3.4, HBA 9, HBD 3, PSA 100.79, QED 0.47
Compound (SMILES): Cc1ccccc1Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3F)nc12
InChIKey: RQBUKWDSBBDFFT-CQSZACIVSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 420.52, ALogP 4.72, HBA 7, HBD 3, PSA 74.76, QED 0.43
Compound (SMILES): Fc1cccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)c1
InChIKey: BARZNYSJNJPOJK-CQSZACIVSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 424.48, ALogP 4.55, HBA 7, HBD 3, PSA 74.76, QED 0.44
Compound (SMILES): Fc1ccccc1Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3F)nc12
InChIKey: OFPFITFWXJFDGG-GFCCVEGCSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 424.48, ALogP 4.55, HBA 7, HBD 3, PSA 74.76, QED 0.44
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2F)nc2c(C#CCCO)csc12)Cc1ccccc1
InChIKey: SUDAMNSWCGEVTD-SFHVURJKSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 447.54, ALogP 3.61, HBA 7, HBD 3, PSA 96.95, QED 0.37
Compound (SMILES): Cc1c(C#CC(C)(C)O)sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
InChIKey: SDKYUONYIOTNFG-OAHLLOKOSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 393.52, ALogP 2.96, HBA 7, HBD 3, PSA 82.96, QED 0.59
Compound (SMILES): Cc1sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc2c1C#CC(C)(C)O
InChIKey: MYMLAJSTKQDNEM-OAHLLOKOSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 393.52, ALogP 2.96, HBA 7, HBD 3, PSA 82.96, QED 0.59
Compound (SMILES): Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1C#CC(C)(C)O
InChIKey: IBYLFJSRQUBZPW-FQEVSTJZSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Inhibition of recombinant full-length human PKC-iota expressed in Sf21 cells using FAM-PKCs pseudopeptide derived peptide substrate and 150 uM ATP by fluorescence polarization based IMAP assay
Measurement: IC50 < 100 nM (pChEMBL 7)
Descriptors: MW 457.6, ALogP 4.17, HBA 7, HBD 3, PSA 96.95, QED 0.38