lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: RCHGLQYDQOSBPL-UHFFFAOYSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 339.47, ALogP 3.25, HBA 6, HBD 2, PSA 76.72, QED 0.76
Compound (SMILES): CC1CCc2c(sc3nc(-c4ccncc4)nc(NC[C@H](C)N)c23)C1
InChIKey: ZNCPXKJCKQDBBN-KIYNQFGBSA-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 353.5, ALogP 3.64, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): CC1CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](C)N)c23)C1
InChIKey: ZNCPXKJCKQDBBN-PIJUOVFKSA-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 353.5, ALogP 3.64, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3
InChIKey: UBINRVCAYVAYRB-UHFFFAOYSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 353.5, ALogP 3.78, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3
InChIKey: LGRLZRTYYCIMPZ-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 367.52, ALogP 4.17, HBA 6, HBD 2, PSA 76.72, QED 0.72
Compound (SMILES): C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3
InChIKey: LGRLZRTYYCIMPZ-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 367.52, ALogP 4.17, HBA 6, HBD 2, PSA 76.72, QED 0.72
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)c1ccccc1)C3
InChIKey: DUBGGPWILQCINP-UHFFFAOYSA-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 430.54, ALogP 3.32, HBA 7, HBD 2, PSA 97.03, QED 0.5
Compound (SMILES): CC(C)Cc1csc2nc(-c3ccncc3)nc(NCCN)c12
InChIKey: QCRXVYGUXONPNH-UHFFFAOYSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 327.46, ALogP 3.32, HBA 6, HBD 2, PSA 76.72, QED 0.73
Compound (SMILES): CC(C)Cc1csc2nc(-c3ccncc3)nc(NC[C@H](C)N)c12
InChIKey: RQFMCYYVWLIPQX-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 = 100 nM (pChEMBL 7)
Descriptors: MW 341.48, ALogP 3.71, HBA 6, HBD 2, PSA 76.72, QED 0.71
Compound (SMILES): CC(C)Cc1csc2nc(-c3ccncc3)nc(NC[C@@H](C)N)c12
InChIKey: RQFMCYYVWLIPQX-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 341.48, ALogP 3.71, HBA 6, HBD 2, PSA 76.72, QED 0.71
Compound (SMILES): CCc1c(C)sc2nc(-c3ccncc3)nc(NC[C@H](C)N)c12
InChIKey: YOZMGXVBNYOSKT-JTQLQIEISA-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 327.46, ALogP 3.38, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): CCc1c(C)sc2nc(-c3ccncc3)nc(NC[C@@H](C)N)c12
InChIKey: YOZMGXVBNYOSKT-SNVBAGLBSA-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 327.46, ALogP 3.38, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): CCc1cc2c(NCCN)nc(-c3ccncc3)nc2s1
InChIKey: KKVDCWSPGZUUKI-UHFFFAOYSA-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 299.4, ALogP 2.69, HBA 6, HBD 2, PSA 76.72, QED 0.76
Compound (SMILES): CCc1cc2c(NC[C@H](C)N)nc(-c3ccncc3)nc2s1
InChIKey: WZPJHNRZKLILRG-JTQLQIEISA-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 313.43, ALogP 3.07, HBA 6, HBD 2, PSA 76.72, QED 0.76
Compound (SMILES): CCc1cc2c(NC[C@@H](C)N)nc(-c3ccncc3)nc2s1
InChIKey: WZPJHNRZKLILRG-SNVBAGLBSA-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 313.43, ALogP 3.07, HBA 6, HBD 2, PSA 76.72, QED 0.76
Compound (SMILES): Cc1sc2nc(-c3ccncc3)nc(NCCN)c2c1C
InChIKey: CJTADEDNNFJZIT-UHFFFAOYSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 299.4, ALogP 2.74, HBA 6, HBD 2, PSA 76.72, QED 0.77
Compound (SMILES): Cc1sc2nc(-c3ccncc3)nc(NC[C@H](C)N)c2c1C
InChIKey: JNLNURCBNJXMRP-VIFPVBQESA-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 313.43, ALogP 3.13, HBA 6, HBD 2, PSA 76.72, QED 0.77
Compound (SMILES): Cc1sc2nc(-c3ccncc3)nc(NC[C@@H](C)N)c2c1C
InChIKey: JNLNURCBNJXMRP-SECBINFHSA-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 313.43, ALogP 3.13, HBA 6, HBD 2, PSA 76.72, QED 0.77
Compound (SMILES): Cc1c(C(N)=O)sc2nc(-c3ccncc3)nc(NCCN)c12
InChIKey: VXOSZCCEIVWRKG-UHFFFAOYSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 328.4, ALogP 1.53, HBA 7, HBD 3, PSA 119.81, QED 0.65
Compound (SMILES): CC(C)c1cc2c(NCCN)nc(-c3ccncc3)nc2s1
InChIKey: PJQXMTRXLBOJIQ-UHFFFAOYSA-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 313.43, ALogP 3.25, HBA 6, HBD 2, PSA 76.72, QED 0.76
Compound (SMILES): CC(C)c1cc2c(NC[C@@H](C)N)nc(-c3ccncc3)nc2s1
InChIKey: NSBZXFHSKFXCGL-LLVKDONJSA-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 327.46, ALogP 3.64, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCC1(C3)OCCO1
InChIKey: AFEBVDQUVLPJDK-UHFFFAOYSA-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 383.48, ALogP 2.36, HBA 8, HBD 2, PSA 95.18, QED 0.71
Compound (SMILES): CC1(C)CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: ITRLYWPXQGSNOD-UHFFFAOYSA-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 353.5, ALogP 3.64, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCSC3
InChIKey: SPWGYKVSRGGKJY-UHFFFAOYSA-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 343.48, ALogP 2.91, HBA 7, HBD 2, PSA 76.72, QED 0.76
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCOC3
InChIKey: AWUMXXGOCPBSHQ-UHFFFAOYSA-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 327.41, ALogP 2.2, HBA 7, HBD 2, PSA 85.95, QED 0.76
Compound (SMILES): Cc1ccc(C[C@H](N)CNc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)cc1
InChIKey: WEGANCGDKWNYPL-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 429.59, ALogP 4.92, HBA 6, HBD 2, PSA 76.72, QED 0.45
Compound (SMILES): COc1ccc(C[C@H](N)CNc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)cc1
InChIKey: KRTGNCYOFUESFK-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 445.59, ALogP 4.62, HBA 7, HBD 2, PSA 85.95, QED 0.43
Compound (SMILES): Cc1cccc(C[C@H](N)CNc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)c1
InChIKey: QHFLJFSXXSPVDL-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 429.59, ALogP 4.92, HBA 6, HBD 2, PSA 76.72, QED 0.45
Compound (SMILES): COc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
InChIKey: YBZMRYATNBZJEI-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 445.59, ALogP 4.62, HBA 7, HBD 2, PSA 85.95, QED 0.43
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccc(F)cc1
InChIKey: ARLRWHYSDXKZDK-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 433.56, ALogP 4.75, HBA 6, HBD 2, PSA 76.72, QED 0.46
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1F
InChIKey: VYMIJHAEOKONKM-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 433.56, ALogP 4.75, HBA 6, HBD 2, PSA 76.72, QED 0.46
Compound (SMILES): N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccc2ccccc12
InChIKey: MYJNNRAYZISGDD-OAQYLSRUSA-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 465.63, ALogP 5.77, HBA 6, HBD 2, PSA 76.72, QED 0.33
Compound (SMILES): Cc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
InChIKey: HLJUNQUIHAWJKD-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 429.59, ALogP 4.92, HBA 6, HBD 2, PSA 76.72, QED 0.45
Compound (SMILES): COc1cccc(C[C@H](N)CNc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)c1
InChIKey: GMSFZHCADVBJDY-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 445.59, ALogP 4.62, HBA 7, HBD 2, PSA 85.95, QED 0.43
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccc(O)cc1
InChIKey: WBBPTXCGILPVAB-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 431.57, ALogP 4.32, HBA 7, HBD 3, PSA 96.95, QED 0.42
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccncc1
InChIKey: KNTCVUHFKDZJSC-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 416.55, ALogP 4.01, HBA 7, HBD 2, PSA 89.61, QED 0.49
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccnc1
InChIKey: FWFBQGIMNFVOBO-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 416.55, ALogP 4.01, HBA 7, HBD 2, PSA 89.61, QED 0.49
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccn1
InChIKey: ATQGBHCPSYVAOX-INIZCTEOSA-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 416.55, ALogP 4.01, HBA 7, HBD 2, PSA 89.61, QED 0.49
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cscn1
InChIKey: OZNUCOJZXZDKON-AWEZNQCLSA-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 422.58, ALogP 4.07, HBA 8, HBD 2, PSA 89.61, QED 0.49
Compound (SMILES): CC(C)(C)C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
InChIKey: JMDBJTBOAUQGLG-HNNXBMFYSA-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 395.58, ALogP 4.81, HBA 6, HBD 2, PSA 76.72, QED 0.65
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1csc2ccccc12
InChIKey: JEILWESDRSCDBK-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 471.66, ALogP 5.83, HBA 7, HBD 2, PSA 76.72, QED 0.33
Compound (SMILES): c1cc(-c2nc(NC[C@H]3CCCCN3)c3c4c(sc3n2)CCCC4)ccn1
InChIKey: PRIBLCJUJDLDLC-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 379.53, ALogP 4.19, HBA 6, HBD 2, PSA 62.73, QED 0.71
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1c[nH]c2ccccc12
InChIKey: MLOIWKKMICTUGS-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 454.6, ALogP 5.1, HBA 6, HBD 3, PSA 92.51, QED 0.33
Compound (SMILES): COc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCSC3
InChIKey: FTUXNXHGVCQSEQ-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 463.63, ALogP 4.53, HBA 8, HBD 2, PSA 85.95, QED 0.42
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1O
InChIKey: KECMYWOAJAQPBG-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 431.57, ALogP 4.32, HBA 7, HBD 3, PSA 96.95, QED 0.42
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccc(O)c1
InChIKey: MKKGSGVHJZYCRN-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 431.57, ALogP 4.32, HBA 7, HBD 3, PSA 96.95, QED 0.42
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1
InChIKey: NRHASZRDWOUMFD-SFHVURJKSA-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 < 100 nM (pChEMBL 7)
Descriptors: MW 415.57, ALogP 4.61, HBA 6, HBD 2, PSA 76.72, QED 0.48
Compound (SMILES): CC[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
InChIKey: VIDBYKDOYINNBI-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 353.5, ALogP 3.78, HBA 6, HBD 2, PSA 76.72, QED 0.73
Compound (SMILES): CC1CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](N)Cc4ccccc4)c23)C1
InChIKey: WWXWKZLGLMCOHF-CVMIBEPCSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 429.59, ALogP 4.86, HBA 6, HBD 2, PSA 76.72, QED 0.46
Compound (SMILES): N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3)Cc1ccccc1
InChIKey: XTCACBUXQCDQLG-LJQANCHMSA-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 429.59, ALogP 5, HBA 6, HBD 2, PSA 76.72, QED 0.42
Compound (SMILES): N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1
InChIKey: NRHASZRDWOUMFD-GOSISDBHSA-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 415.57, ALogP 4.61, HBA 6, HBD 2, PSA 76.72, QED 0.48
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)c1ccccc1)C3)Cc1ccccc1
InChIKey: QOYLLSGEGBFNGZ-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 520.66, ALogP 4.93, HBA 7, HBD 2, PSA 97.03, QED 0.32
Compound (SMILES): N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)c1ccccc1)C3)Cc1ccccc1
InChIKey: QOYLLSGEGBFNGZ-HSZRJFAPSA-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 520.66, ALogP 4.93, HBA 7, HBD 2, PSA 97.03, QED 0.32
Compound (SMILES): Cc1c(C(N)=O)sc2nc(-c3ccncc3)nc(NC[C@@H](N)Cc3ccccc3)c12
InChIKey: HQOFQEOCOBHUME-INIZCTEOSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 418.53, ALogP 3.14, HBA 7, HBD 3, PSA 119.81, QED 0.42
Compound (SMILES): CC(C)c1cc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2s1
InChIKey: NJPBDVHXZJEHEK-SFHVURJKSA-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 403.56, ALogP 4.86, HBA 6, HBD 2, PSA 76.72, QED 0.46
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3)Cc1ccccc1
InChIKey: WKBDPCGSHCGNNI-FQEVSTJZSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 443.62, ALogP 5.39, HBA 6, HBD 2, PSA 76.72, QED 0.42
Compound (SMILES): CC1(C)CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](N)Cc4ccccc4)c23)C1
InChIKey: GBXBOIWNCDMEBO-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 443.62, ALogP 5.25, HBA 6, HBD 2, PSA 76.72, QED 0.43
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCC1(C3)OCCO1)Cc1ccccc1
InChIKey: ZBMORZZNUJLECW-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 473.6, ALogP 3.97, HBA 8, HBD 2, PSA 95.18, QED 0.44
Compound (SMILES): N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCC1(C3)OCCO1)Cc1ccccc1
InChIKey: ZBMORZZNUJLECW-LJQANCHMSA-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 473.6, ALogP 3.97, HBA 8, HBD 2, PSA 95.18, QED 0.44
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCSC3)Cc1ccccc1
InChIKey: OZIPXVQPRIEFAR-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 433.61, ALogP 4.52, HBA 7, HBD 2, PSA 76.72, QED 0.47
Compound (SMILES): Cc1nc(NC(C)c2cccc(-c3ccnc(N)n3)c2)cc(-c2ccc3ncsc3c2)n1
InChIKey: GMBYPOMYCKATHW-UHFFFAOYSA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring NADH absorbance pre-incubated for 10 mins before ATP/substrate addition followed by incubation for 1 hr by UV-Visible spectrometry based iPFK-2/PPI-PFK coupled enzyme assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 439.55, ALogP 5.27, HBA 8, HBD 2, PSA 102.5, QED 0.38
Compound (SMILES): Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1
InChIKey: BFKPNCDSXABHBK-IBGZPJMESA-N
Target: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16875
Assay: Inhibition of iPFK2 (unknown origin) assessed as reduction in enzyme-mediated fructose-6-phosphate phosphorylation by measuring NADH absorbance pre-incubated for 10 mins before ATP/substrate addition followed by incubation for 1 hr by UV-Visible spectrometry based iPFK-2/PPI-PFK coupled enzyme assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 507.67, ALogP 6.68, HBA 8, HBD 1, PSA 79.72, QED 0.27
Compound (SMILES): Cc1cc(O)nc2c1c(C)nn2C
InChIKey: CYLGJHAAHGAZHV-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23458
Assay: Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR-FRET assay
Measurement: IC50 > 900000 nM (pChEMBL 3.0460000038146973)
Descriptors: MW 177.21, ALogP 1.29, HBA 4, HBD 1, PSA 50.94, QED 0.66
Compound (SMILES): N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCSC3)Cc1ccccc1
InChIKey: OZIPXVQPRIEFAR-QGZVFWFLSA-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 433.61, ALogP 4.52, HBA 7, HBD 2, PSA 76.72, QED 0.47
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCOC3)Cc1ccccc1
InChIKey: QXNSDPYYBICYLJ-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 417.54, ALogP 3.81, HBA 7, HBD 2, PSA 85.95, QED 0.5
Compound (SMILES): N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCOC3)Cc1ccccc1
InChIKey: QXNSDPYYBICYLJ-QGZVFWFLSA-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 417.54, ALogP 3.81, HBA 7, HBD 2, PSA 85.95, QED 0.5
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3
InChIKey: CBBVFYZOXMLNAC-UHFFFAOYSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 339.47, ALogP 3.39, HBA 6, HBD 2, PSA 76.72, QED 0.71
Compound (SMILES): c1cc(-c2nc(N3CCNCC3)c3c4c(sc3n2)CCCCC4)ccn1
InChIKey: WVPZJMVATHFKNC-UHFFFAOYSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 365.51, ALogP 3.43, HBA 6, HBD 1, PSA 53.94, QED 0.71
Compound (SMILES): c1cc(-c2nc(N3CCCNCC3)c3c4c(sc3n2)CCCCC4)ccn1
InChIKey: ULOLPZWHWLZTDC-UHFFFAOYSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 379.53, ALogP 3.82, HBA 6, HBD 1, PSA 53.94, QED 0.69
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3)Cc1ccccc1
InChIKey: XTCACBUXQCDQLG-IBGZPJMESA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 429.59, ALogP 5, HBA 6, HBD 2, PSA 76.72, QED 0.42
Compound (SMILES): C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3
InChIKey: LJQSYJGRLXLEDN-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 = 100 nM (pChEMBL 7)
Descriptors: MW 353.5, ALogP 3.78, HBA 6, HBD 2, PSA 76.72, QED 0.7
Compound (SMILES): C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3
InChIKey: LJQSYJGRLXLEDN-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 = 100 nM (pChEMBL 7)
Descriptors: MW 353.5, ALogP 3.78, HBA 6, HBD 2, PSA 76.72, QED 0.7
Compound (SMILES): CC(C)(C)OC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](N)Cc4ccccc4)c23)C1
InChIKey: RMEXCAWMHNPOKM-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 516.67, ALogP 5.03, HBA 8, HBD 2, PSA 106.26, QED 0.37
Compound (SMILES): Cc1sc2nc(-c3ccncc3)nc(NCCN)c2c1-c1ccccc1
InChIKey: LETOESSEOGGWER-UHFFFAOYSA-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 361.47, ALogP 4.1, HBA 6, HBD 2, PSA 76.72, QED 0.56
Compound (SMILES): Cc1sc2nc(-c3ccncc3)nc(N3CCCNCC3)c2c1-c1ccccc1
InChIKey: LAFZSPXFXQFHGV-UHFFFAOYSA-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 401.54, ALogP 4.53, HBA 6, HBD 1, PSA 53.94, QED 0.55
Compound (SMILES): Brc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CCCNCC4)c23)cc1
InChIKey: DMOOQNBFDZCWOC-UHFFFAOYSA-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 466.41, ALogP 4.98, HBA 6, HBD 1, PSA 53.94, QED 0.46
Compound (SMILES): Cc1csc2nc(-c3ccncc3)nc(N3CCNCC3)c12
InChIKey: VHQZOCOAUACEQW-UHFFFAOYSA-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 < 100 nM (pChEMBL 7)
Descriptors: MW 311.41, ALogP 2.47, HBA 6, HBD 1, PSA 53.94, QED 0.79
Compound (SMILES): Cc1csc2nc(-c3ccncc3)nc(N3CCCNCC3)c12
InChIKey: MYMVCQFSSWASMR-UHFFFAOYSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 325.44, ALogP 2.86, HBA 6, HBD 1, PSA 53.94, QED 0.79
Compound (SMILES): C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)OC(C)(C)C)C3
InChIKey: QGOMFOMRHUXVJA-ZDUSSCGKSA-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 440.57, ALogP 3.81, HBA 8, HBD 2, PSA 106.26, QED 0.64
Compound (SMILES): NCCNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3
InChIKey: KCEXAGCBGGUIDQ-UHFFFAOYSA-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 343.43, ALogP 3.14, HBA 6, HBD 2, PSA 76.72, QED 0.76
Compound (SMILES): NCCNc1nc(-c2ccnc(F)c2)nc2sc3c(c12)CCCC3
InChIKey: PJFYJYPGJFUAIB-UHFFFAOYSA-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 343.43, ALogP 3.14, HBA 6, HBD 2, PSA 76.72, QED 0.71
Compound (SMILES): C[C@H](N)CNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3
InChIKey: STQDTUIYESZIAS-JTQLQIEISA-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 357.46, ALogP 3.53, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): C[C@@H](N)CNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3
InChIKey: STQDTUIYESZIAS-SNVBAGLBSA-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 357.46, ALogP 3.53, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3)Cc1ccccc1
InChIKey: VSQOOKVUDIAACL-INIZCTEOSA-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 433.56, ALogP 4.75, HBA 6, HBD 2, PSA 76.72, QED 0.46
Compound (SMILES): COc1cnccc1-c1nc(NC[C@@H](N)Cc2ccccc2)c2c3c(sc2n1)CCCC3
InChIKey: SWOYVYPLGGFFAG-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 445.59, ALogP 4.62, HBA 7, HBD 2, PSA 85.95, QED 0.43
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2O)nc2sc3c(c12)CCCC3)Cc1ccccc1
InChIKey: PQQFCFLCHNTDHQ-INIZCTEOSA-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 431.57, ALogP 4.32, HBA 7, HBD 3, PSA 96.95, QED 0.42
Compound (SMILES): CC(C)(C)OC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: BLZGXXZXRPJXCC-UHFFFAOYSA-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 426.55, ALogP 3.42, HBA 8, HBD 2, PSA 106.26, QED 0.66
Compound (SMILES): CC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: QQGOVVZRZPRNHU-UHFFFAOYSA-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 368.47, ALogP 2.03, HBA 7, HBD 2, PSA 97.03, QED 0.73
Compound (SMILES): CCC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: WPTBUTSSOIQBFD-UHFFFAOYSA-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 382.49, ALogP 2.42, HBA 7, HBD 2, PSA 97.03, QED 0.7
Compound (SMILES): CC(C)C(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: DZSDTCIZDKZYNA-UHFFFAOYSA-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 396.52, ALogP 2.66, HBA 7, HBD 2, PSA 97.03, QED 0.69
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)C1CC1)C3
InChIKey: QNICBKPNXMVOSR-UHFFFAOYSA-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 394.5, ALogP 2.42, HBA 7, HBD 2, PSA 97.03, QED 0.69
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)C1CCC1)C3
InChIKey: GGMSBZICWYEOFR-UHFFFAOYSA-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 2.81, HBA 7, HBD 2, PSA 97.03, QED 0.67
Compound (SMILES): CCCCC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: CRSPJFRFIJOXHQ-UHFFFAOYSA-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 3.2, HBA 7, HBD 2, PSA 97.03, QED 0.62
Compound (SMILES): CN(C)CC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: QFXSJGYBKNGEHX-UHFFFAOYSA-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 411.54, ALogP 1.57, HBA 8, HBD 2, PSA 100.27, QED 0.63
Compound (SMILES): CCN1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: CKVYINCXYHYHEL-UHFFFAOYSA-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 354.48, ALogP 2.5, HBA 7, HBD 2, PSA 79.96, QED 0.73
Compound (SMILES): CN1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: OGYCZCYISQKRAP-UHFFFAOYSA-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 340.46, ALogP 2.11, HBA 7, HBD 2, PSA 79.96, QED 0.76
Compound (SMILES): CC(C)CN1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1
InChIKey: KYCSKTRNULLBCM-UHFFFAOYSA-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 382.54, ALogP 3.14, HBA 7, HBD 2, PSA 79.96, QED 0.68