lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccs1
InChIKey: YKQOUBRABHEBJT-OAHLLOKOSA-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 422.58, ALogP 4.64, HBA 7, HBD 1, PSA 73.92, QED 0.49
Compound (SMILES): N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccc(Br)cc1
InChIKey: CLGRRKRNYUISPX-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 495.45, ALogP 5.34, HBA 6, HBD 1, PSA 73.92, QED 0.39
Compound (SMILES): N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccc2ccccc2c1
InChIKey: SVMYTTDMUZUNEC-JOCHJYFZSA-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 466.61, ALogP 5.73, HBA 6, HBD 1, PSA 73.92, QED 0.35
Compound (SMILES): N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccc2ccccc12
InChIKey: IOBAXCOQUMKHIP-OAQYLSRUSA-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 466.61, ALogP 5.73, HBA 6, HBD 1, PSA 73.92, QED 0.35
Compound (SMILES): Cc1ccccc1C[C@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
InChIKey: ILHDZJTWYHRCFB-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 430.58, ALogP 4.89, HBA 6, HBD 1, PSA 73.92, QED 0.47
Compound (SMILES): N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1c[nH]cn1
InChIKey: FHZGVCNKVQPERP-AWEZNQCLSA-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 406.52, ALogP 3.3, HBA 7, HBD 2, PSA 102.6, QED 0.51
Compound (SMILES): N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1csc2ccccc12
InChIKey: IPABWEFWMWRCDB-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 472.64, ALogP 5.8, HBA 7, HBD 1, PSA 73.92, QED 0.34
Compound (SMILES): N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1csc2ccccc12
InChIKey: IPABWEFWMWRCDB-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 472.64, ALogP 5.8, HBA 7, HBD 1, PSA 73.92, QED 0.34
Compound (SMILES): c1cc(-c2nc(OC[C@H]3CCCCN3)c3c4c(sc3n2)CCCC4)ccn1
InChIKey: QDNJAELNYCIBEV-OAHLLOKOSA-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 380.52, ALogP 4.15, HBA 6, HBD 1, PSA 59.93, QED 0.74
Compound (SMILES): c1cc(-c2nc(OC[C@@H]3CCCCN3)c3c4c(sc3n2)CCCC4)ccn1
InChIKey: QDNJAELNYCIBEV-HNNXBMFYSA-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 380.52, ALogP 4.15, HBA 6, HBD 1, PSA 59.93, QED 0.74
Compound (SMILES): COc1cccc(C[C@H](N)COc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)c1
InChIKey: LJLIVVVTLCSRNX-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 446.58, ALogP 4.59, HBA 7, HBD 1, PSA 83.15, QED 0.45
Compound (SMILES): NCCNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3
InChIKey: ONBNVCHUMDEZLI-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 314.42, ALogP 2.33, HBA 6, HBD 3, PSA 92.51, QED 0.69
Compound (SMILES): Cc1n[nH]c(C)c1-c1nc(NCCN)c2c3c(sc2n1)CCCC3
InChIKey: WULKEWYSCWRXNC-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 342.47, ALogP 2.95, HBA 6, HBD 3, PSA 92.51, QED 0.68
Compound (SMILES): N[C@H](CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3)Cc1ccccc1
InChIKey: AOFFBJFIIAWVEQ-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 404.54, ALogP 3.94, HBA 6, HBD 3, PSA 92.51, QED 0.45
Compound (SMILES): Cc1n[nH]c(C)c1-c1nc(NC[C@@H](N)Cc2ccccc2)c2c3c(sc2n1)CCCC3
InChIKey: GNUFHHDGGKKPHR-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 432.6, ALogP 4.56, HBA 6, HBD 3, PSA 92.51, QED 0.42
Compound (SMILES): c1n[nH]cc1-c1nc(N2CCNCC2)c2c3c(sc2n1)CCCC3
InChIKey: FTKXJQLWMUNMSB-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 340.46, ALogP 2.37, HBA 6, HBD 2, PSA 69.73, QED 0.75
Compound (SMILES): c1n[nH]cc1-c1nc(N2CCCNCC2)c2c3c(sc2n1)CCCC3
InChIKey: KMWVVSFSSCUVAP-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 354.48, ALogP 2.76, HBA 6, HBD 2, PSA 69.73, QED 0.74
Compound (SMILES): C[C@H](N)CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3
InChIKey: YVAXVDIHYUAZRP-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 = 100 nM (pChEMBL 7)
Descriptors: MW 328.44, ALogP 2.72, HBA 6, HBD 3, PSA 92.51, QED 0.68
Compound (SMILES): C[C@@H](N)CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3
InChIKey: YVAXVDIHYUAZRP-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 328.44, ALogP 2.72, HBA 6, HBD 3, PSA 92.51, QED 0.68
Compound (SMILES): c1n[nH]cc1-c1nc(N[C@@H]2CCNC2)c2c3c(sc2n1)CCCC3
InChIKey: WVMUVRRBQYBNFW-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 = 100 nM (pChEMBL 7)
Descriptors: MW 340.46, ALogP 2.73, HBA 6, HBD 3, PSA 78.52, QED 0.68
Compound (SMILES): Cc1n[nH]c(C)c1-c1nc(N2CCNCC2)c2c3c(sc2n1)CCCC3
InChIKey: NJZDWDXIZCWDJA-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 368.51, ALogP 2.99, HBA 6, HBD 2, PSA 69.73, QED 0.73
Compound (SMILES): Cc1n[nH]c(C)c1-c1nc(N2CCCNCC2)c2c3c(sc2n1)CCCC3
InChIKey: OUGCUOHUQXKFNG-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 382.54, ALogP 3.38, HBA 6, HBD 2, PSA 69.73, QED 0.71
Compound (SMILES): Cc1n[nH]c(C)c1-c1nc(NC[C@H](C)N)c2c3c(sc2n1)CCCC3
InChIKey: YJWQCLCDKGEBKY-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 356.5, ALogP 3.34, HBA 6, HBD 3, PSA 92.51, QED 0.67
Compound (SMILES): Cc1n[nH]c(C)c1-c1nc(NC[C@@H](C)N)c2c3c(sc2n1)CCCC3
InChIKey: YJWQCLCDKGEBKY-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 356.5, ALogP 3.34, HBA 6, HBD 3, PSA 92.51, QED 0.67
Compound (SMILES): Cc1n[nH]c(C)c1-c1nc(N[C@@H]2CCNC2)c2c3c(sc2n1)CCCC3
InChIKey: DFMYYBVJOSGSJH-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 368.51, ALogP 3.35, HBA 6, HBD 3, PSA 78.52, QED 0.66
Compound (SMILES): Cn1cc(-c2nc(NCCN)c3c4c(sc3n2)CCCC4)cn1
InChIKey: YPJLAUDFBNPNBY-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 > 60000 nM (pChEMBL 4.2220001220703125)
Descriptors: MW 328.45, ALogP 2.34, HBA 7, HBD 2, PSA 81.65, QED 0.77
Compound (SMILES): c1ccc(C[C@H]2CN(c3nc(-c4cn[nH]c4)nc4sc5c(c34)CCCC5)CCN2)cc1
InChIKey: IKMZQOUMYVZNRA-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 430.58, ALogP 3.98, HBA 6, HBD 2, PSA 69.73, QED 0.51
Compound (SMILES): Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br
InChIKey: WLVCVEDCEFLAPC-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 < 100 nM (pChEMBL 7)
Descriptors: MW 454.4, ALogP 4.81, HBA 6, HBD 2, PSA 76.72, QED 0.44
Compound (SMILES): c1ccc(-c2cc3nc(-c4ccncc4)nc(N4CCNCC4)c3s2)cc1
InChIKey: VHNWUQHHLPJBMS-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 373.49, ALogP 3.83, HBA 6, HBD 1, PSA 53.94, QED 0.59
Compound (SMILES): Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: KSWKHATWXLSABK-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 < 100 nM (pChEMBL 7)
Descriptors: MW 375.5, ALogP 4.04, HBA 6, HBD 2, PSA 76.72, QED 0.53
Compound (SMILES): COc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2c(Br)c(C(C)(C)C)sc12
InChIKey: TYPOAJFSDSNSHU-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 526.5, ALogP 5.8, HBA 7, HBD 2, PSA 85.95, QED 0.32
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2F)nc2c(Br)csc12)Cc1ccccc1
InChIKey: NNEHCRFDFZOIBV-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 < 100 nM (pChEMBL 7)
Descriptors: MW 458.36, ALogP 4.64, HBA 6, HBD 2, PSA 76.72, QED 0.44
Compound (SMILES): C[C@H](N)CNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIKey: PXMUFOHMQDXUJA-QMMMGPOBSA-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 364.27, ALogP 3.27, HBA 6, HBD 2, PSA 76.72, QED 0.74
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(Cl)csc12)Cc1ccccc1
InChIKey: RXRBVUWUAWWKSD-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 < 100 nM (pChEMBL 7)
Descriptors: MW 395.92, ALogP 4.39, HBA 6, HBD 2, PSA 76.72, QED 0.51
Compound (SMILES): C[C@H](N)CNc1nc(-c2ccncc2)nc2cc(C(C)(C)C)sc12
InChIKey: JIAZEJCFIULJRI-NSHDSACASA-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 341.48, ALogP 3.81, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): C[C@@H](N)CNc1nc(-c2ccncc2)nc2cc(C(C)(C)C)sc12
InChIKey: JIAZEJCFIULJRI-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 341.48, ALogP 3.81, HBA 6, HBD 2, PSA 76.72, QED 0.75
Compound (SMILES): Cc1sc2c(NCCN)nc(-c3ccncc3)nc2c1C
InChIKey: PNFIGOKZDWMIOB-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 299.4, ALogP 2.74, HBA 6, HBD 2, PSA 76.72, QED 0.77
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2c(-c3ccc(Br)cc3)csc12
InChIKey: RPXUYYFTUPZIKW-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 426.34, ALogP 4.55, HBA 6, HBD 2, PSA 76.72, QED 0.49
Compound (SMILES): CC(C)(C)c1cc2nc(-c3ccncc3)nc(NCCN)c2s1
InChIKey: XKLLKPUQKJPUFU-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 327.46, ALogP 3.42, HBA 6, HBD 2, PSA 76.72, QED 0.77
Compound (SMILES): Cc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
InChIKey: JJGKGBHFMUFMDN-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 311.41, ALogP 2.84, HBA 6, HBD 2, PSA 62.73, QED 0.78
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2cc(-c3ccccc3)sc12
InChIKey: XQXKRZOOAYZRRH-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 347.45, ALogP 3.79, HBA 6, HBD 2, PSA 76.72, QED 0.57
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2ccsc12)Cc1ccccc1
InChIKey: WHZWHOGSPKRRAE-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 = 100 nM (pChEMBL 7)
Descriptors: MW 361.47, ALogP 3.74, HBA 6, HBD 2, PSA 76.72, QED 0.55
Compound (SMILES): F[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc(-c2ccncc2)nc2ccsc12
InChIKey: YWRBZSJYUOKCPZ-HKUYNNGSSA-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 405.5, ALogP 4.39, HBA 6, HBD 1, PSA 53.94, QED 0.53
Compound (SMILES): c1cc(-c2nc(N[C@@H]3CCCNC3)c3sccc3n2)ccn1
InChIKey: SPCPBZVNDGXONZ-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 311.41, ALogP 2.92, HBA 6, HBD 2, PSA 62.73, QED 0.78
Compound (SMILES): c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1
InChIKey: OFHDAGWTOJRLIO-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 297.39, ALogP 2.53, HBA 6, HBD 2, PSA 62.73, QED 0.78
Compound (SMILES): N[C@@H]1CCN(c2nc(-c3ccncc3)nc3ccsc23)C1
InChIKey: LBDXWYXVMQQNDI-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 297.39, ALogP 2.29, HBA 6, HBD 1, PSA 67.93, QED 0.79
Compound (SMILES): O[C@H]1CNC[C@@H]1Nc1nc(-c2ccncc2)nc2ccsc12
InChIKey: ZKIPEXFNOAVOAV-RYUDHWBXSA-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 313.39, ALogP 1.5, HBA 7, HBD 3, PSA 82.96, QED 0.68
Compound (SMILES): NC(=O)CN1CC[C@@H](Nc2nc(-c3ccncc3)nc3ccsc23)C1
InChIKey: NTIQYKNXFHUMCK-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 354.44, ALogP 1.72, HBA 7, HBD 2, PSA 97.03, QED 0.72
Compound (SMILES): F[C@H]1NCC[C@H]1Nc1nc(-c2ccncc2)nc2ccsc12
InChIKey: UQLIMZXIFKLJLG-YPMHNXCESA-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 315.38, ALogP 2.82, HBA 6, HBD 2, PSA 62.73, QED 0.73
Compound (SMILES): Clc1cnccc1-c1nc(N[C@@H]2CCNC2)c2sccc2n1
InChIKey: QOYILPJDJLZDIA-SECBINFHSA-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 331.83, ALogP 3.18, HBA 6, HBD 2, PSA 62.73, QED 0.77
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2Cl)nc2ccsc12)Cc1ccccc1
InChIKey: MYMDPLPEHRMOHK-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 395.92, ALogP 4.39, HBA 6, HBD 2, PSA 76.72, QED 0.51
Compound (SMILES): CC(C)(C)c1cc2nc(-c3ccncc3)nc(NC[C@@H](N)Cc3ccccc3)c2s1
InChIKey: NHNGFMFKTXQYFK-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 417.58, ALogP 5.03, HBA 6, HBD 2, PSA 76.72, QED 0.46
Compound (SMILES): Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1C
InChIKey: YAATZNGETCYJHV-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 389.53, ALogP 4.35, HBA 6, HBD 2, PSA 76.72, QED 0.51
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccc(Br)cc3)csc12)Cc1ccccc1
InChIKey: XNWNFIVYQMZUKA-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 516.47, ALogP 6.16, HBA 6, HBD 2, PSA 76.72, QED 0.27
Compound (SMILES): N[C@@H](CNc1nc(-c2ccncc2)nc2c(-c3ccc(Br)cc3)csc12)Cc1ccccc1
InChIKey: XNWNFIVYQMZUKA-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 516.47, ALogP 6.16, HBA 6, HBD 2, PSA 76.72, QED 0.27
Compound (SMILES): Cc1sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc2c1Br
InChIKey: WQDFZYXGKLTTGX-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 = 100 nM (pChEMBL 7)
Descriptors: MW 390.31, ALogP 3.6, HBA 6, HBD 2, PSA 62.73, QED 0.72
Compound (SMILES): Cc1sc2c(NC[C@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br
InChIKey: WLVCVEDCEFLAPC-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 454.4, ALogP 4.81, HBA 6, HBD 2, PSA 76.72, QED 0.44
Compound (SMILES): Cc1sc2c(NC[C@H](C)N)nc(-c3ccncc3)nc2c1Br
InChIKey: PYNAXKOPBLSART-QMMMGPOBSA-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 378.3, ALogP 3.58, HBA 6, HBD 2, PSA 76.72, QED 0.73
Compound (SMILES): Cc1sc2c(NC[C@@H](C)N)nc(-c3ccncc3)nc2c1Br
InChIKey: PYNAXKOPBLSART-MRVPVSSYSA-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 378.3, ALogP 3.58, HBA 6, HBD 2, PSA 76.72, QED 0.73
Compound (SMILES): Cc1sc2c(N[C@H]3CCNC3)nc(-c3ccncc3)nc2c1Br
InChIKey: WQDFZYXGKLTTGX-NSHDSACASA-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 390.31, ALogP 3.6, HBA 6, HBD 2, PSA 62.73, QED 0.72
Compound (SMILES): CC(C)(C)c1sc2c(NCCN)nc(-c3ccncc3)nc2c1Br
InChIKey: GKHAJLLZSIGZLE-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 406.35, ALogP 4.18, HBA 6, HBD 2, PSA 76.72, QED 0.68
Compound (SMILES): CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br
InChIKey: KTSXAFCIAYFMMA-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 496.48, ALogP 5.8, HBA 6, HBD 2, PSA 76.72, QED 0.35
Compound (SMILES): CC(C)(C)c1sc2c(NC[C@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br
InChIKey: KTSXAFCIAYFMMA-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 496.48, ALogP 5.8, HBA 6, HBD 2, PSA 76.72, QED 0.35
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(Br)csc12)Cc1ccccc1
InChIKey: MWNGNWLKSYGMCI-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 < 100 nM (pChEMBL 7)
Descriptors: MW 440.37, ALogP 4.5, HBA 6, HBD 2, PSA 76.72, QED 0.46
Compound (SMILES): Cc1c(Br)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIKey: CLPLDQJXGFEEDB-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 = 100 nM (pChEMBL 7)
Descriptors: MW 454.4, ALogP 4.81, HBA 6, HBD 2, PSA 76.72, QED 0.44
Compound (SMILES): NC(=O)CNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIKey: IIHNXOXHIQQZOX-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 364.23, ALogP 2.41, HBA 6, HBD 2, PSA 93.79, QED 0.74
Compound (SMILES): CN(C)CCNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIKey: BXWOWCQKRVVZFQ-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 378.3, ALogP 3.49, HBA 6, HBD 1, PSA 53.94, QED 0.74
Compound (SMILES): Cc1c(Br)sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
InChIKey: UPLMVFCKTXMQHR-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 = 100 nM (pChEMBL 7)
Descriptors: MW 390.31, ALogP 3.6, HBA 6, HBD 2, PSA 62.73, QED 0.72
Compound (SMILES): Brc1csc2c(NC[C@@H]3CCCN3)nc(-c3ccncc3)nc12
InChIKey: XNMWYTDJLDPUMG-NSHDSACASA-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 390.31, ALogP 3.68, HBA 6, HBD 2, PSA 62.73, QED 0.71
Compound (SMILES): Brc1csc2c(NC[C@H]3CCCN3)nc(-c3ccncc3)nc12
InChIKey: XNMWYTDJLDPUMG-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 390.31, ALogP 3.68, HBA 6, HBD 2, PSA 62.73, QED 0.71
Compound (SMILES): Brc1csc2c(N[C@@H]3CCCNC3)nc(-c3ccncc3)nc12
InChIKey: NPJOOMJSBHGIHL-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 = 100 nM (pChEMBL 7)
Descriptors: MW 390.31, ALogP 3.68, HBA 6, HBD 2, PSA 62.73, QED 0.71
Compound (SMILES): Brc1csc2c(N[C@H]3CCNC3)nc(-c3ccncc3)nc12
InChIKey: JFSFDKKSPUEHIX-JTQLQIEISA-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 376.28, ALogP 3.29, HBA 6, HBD 2, PSA 62.73, QED 0.73
Compound (SMILES): CNCCNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIKey: WMGRZGOHWUAMAS-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 364.27, ALogP 3.15, HBA 6, HBD 2, PSA 62.73, QED 0.68
Compound (SMILES): CC(C)C[C@H](N)CNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIKey: IDQKQFMRPMCUER-LBPRGKRZSA-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 406.35, ALogP 4.3, HBA 6, HBD 2, PSA 76.72, QED 0.64
Compound (SMILES): CC(C)[C@H](N)CNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIKey: DVCOBXWRSJYCTH-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 392.33, ALogP 3.91, HBA 6, HBD 2, PSA 76.72, QED 0.69
Compound (SMILES): N[C@H](CNc1nc(-c2ccncc2)nc2c(Br)csc12)CC1CCCCC1
InChIKey: VYBPILRCIUGMKY-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 = 100 nM (pChEMBL 7)
Descriptors: MW 446.42, ALogP 5.23, HBA 6, HBD 2, PSA 76.72, QED 0.54
Compound (SMILES): NCCNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIKey: UCPPBHKKHBABBC-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 = 100 nM (pChEMBL 7)
Descriptors: MW 350.25, ALogP 2.89, HBA 6, HBD 2, PSA 76.72, QED 0.76
Compound (SMILES): Cc1nc(-c2cnc(N)nc2C(F)(F)F)cc(C2CCN(C(=O)c3ccccc3)C2)n1
InChIKey: UUPKZABTIVGODI-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 6430 nM (pChEMBL 5.190000057220459)
Descriptors: MW 428.42, ALogP 3.47, HBA 6, HBD 1, PSA 97.89, QED 0.69
Compound (SMILES): Cc1nc(-c2cnc(N)nc2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1
InChIKey: QSPKUGKRZFXZTA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 374.45, ALogP 2.84, HBA 6, HBD 1, PSA 97.89, QED 0.76
Compound (SMILES): Cc1nc(-c2cnc(N)nc2C(F)(F)F)cc(C2CCCN(C(=O)c3ccccc3)C2)n1
InChIKey: SCNGBROGDYZMQT-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 6430 nM (pChEMBL 5.190000057220459)
Descriptors: MW 442.45, ALogP 3.86, HBA 6, HBD 1, PSA 97.89, QED 0.66
Compound (SMILES): Cc1nc(-c2cnc(N)nc2)cc(C2CCN(C(=O)c3ccccc3)C2)n1
InChIKey: UNSGVAQYHNHOOX-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 1730 nM (pChEMBL 5.760000228881836)
Descriptors: MW 360.42, ALogP 2.45, HBA 6, HBD 1, PSA 97.89, QED 0.77
Compound (SMILES): Nc1ncc(-c2cc(N3C4CC5CC(C4)CC3C5)nc(N3CC4CC3C4)n2)cn1
InChIKey: CKFLBARNNKTRBE-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 830 nM (pChEMBL 6.079999923706055)
Descriptors: MW 389.51, ALogP 2.88, HBA 7, HBD 1, PSA 84.06, QED 0.86
Compound (SMILES): Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F
InChIKey: SKMKJBYBPYBDMN-RYUDHWBXSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 440.4, ALogP 2.55, HBA 8, HBD 1, PSA 89.63, QED 0.71
Compound (SMILES): Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)(F)C3)n2)cn1
InChIKey: XQZIYEVOOVZCLJ-STQMWFEESA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 389.41, ALogP 1.73, HBA 8, HBD 1, PSA 93.29, QED 0.85
Compound (SMILES): Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)CC3)n2)cn1
InChIKey: IDJDGWJYWLXFQC-KBPBESRZSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 371.42, ALogP 1.43, HBA 8, HBD 1, PSA 93.29, QED 0.87
Compound (SMILES): Nc1ncc(-c2cc([C@H]3[C@@H]4CN(C5COC5)C[C@@H]43)nc(N3CC4CC3C4)n2)cn1
InChIKey: FUMFERFWSZGVIW-NGDVZMDKSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 391.48, ALogP 1.16, HBA 8, HBD 1, PSA 93.29, QED 0.83
Compound (SMILES): CCC(=O)N1C[C@@H]2[C@H](C1)[C@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1
InChIKey: DSCIMUXRIKFNDZ-MCBXIFIFSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 415.44, ALogP 3.18, HBA 6, HBD 1, PSA 94.23, QED 0.78
Compound (SMILES): CC(=O)N1C[C@@H]2[C@H](C1)[C@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1
InChIKey: RDKDYHSGXSLFMJ-LAQFHYBYSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 401.42, ALogP 2.79, HBA 6, HBD 1, PSA 94.23, QED 0.83
Compound (SMILES): CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1
InChIKey: AOBRHJZEGCFCPG-UAOKOLBASA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 459.48, ALogP 2.55, HBA 7, HBD 1, PSA 91.48, QED 0.75
Compound (SMILES): Nc1ncc(-c2cc([C@H]3[C@@H]4CN(CC(F)(F)F)C[C@@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F
InChIKey: CIORSAXNFYQPHG-PSHHRWLOSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 482.46, ALogP 3.53, HBA 7, HBD 1, PSA 80.4, QED 0.63
Compound (SMILES): Nc1ncc(-c2cc([C@H]3[C@@H]4CN(CC(F)(F)F)C[C@@H]43)nc(N3CC4CC3C4)n2)cn1
InChIKey: IJGAZVAWDKUYQM-BRWUSLTKSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 417.44, ALogP 2.32, HBA 7, HBD 1, PSA 84.06, QED 0.82
Compound (SMILES): CC(C)(O)CN1C[C@@H]2[C@H](C1)[C@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1
InChIKey: WRPHVSMWDNLYJO-GEGCLIBWSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 490.53, ALogP 3.03, HBA 8, HBD 2, PSA 100.63, QED 0.64
Compound (SMILES): CC(C)(O)CN1C[C@@H]2[C@H](C1)[C@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1
InChIKey: BERLXBSGIWHORK-GEGCLIBWSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 474.53, ALogP 3.15, HBA 7, HBD 2, PSA 91.4, QED 0.69
Compound (SMILES): CC(C)(O)CN1C[C@@H]2[C@H](C1)[C@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1
InChIKey: LLUJUXLNMFBTTK-GEGCLIBWSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 472.54, ALogP 2.74, HBA 8, HBD 2, PSA 100.63, QED 0.63
Compound (SMILES): CC(=O)N1C[C@@H]2[C@H](C1)[C@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1
InChIKey: PONGZVXIBPDZHO-ALRSZZJFSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 460.46, ALogP 2.81, HBA 7, HBD 1, PSA 97.47, QED 0.75
Compound (SMILES): CC(=O)N1C[C@@H]2[C@H](C1)[C@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1
InChIKey: DFHOHYZVILNXFD-ALRSZZJFSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 444.46, ALogP 2.93, HBA 6, HBD 1, PSA 88.24, QED 0.78
Compound (SMILES): COCCN1C[C@@H]2[C@H](C1)[C@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1
InChIKey: AGLNIGOOKHLUKQ-GEGCLIBWSA-N
Target: Mitogen-activated protein kinase kinase kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12852
Assay: Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N- terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 476.5, ALogP 2.91, HBA 8, HBD 1, PSA 89.63, QED 0.65