lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCCC(Nc1ccc(C(=O)NCCC(=O)O)cn1)c1ccc(-n2cc(C(F)(F)F)cn2)nc1
InChIKey: SQZKHPUPEHVDCD-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 399 nM (pChEMBL 6.400000095367432)
Descriptors: MW 476.46, ALogP 3.84, HBA 7, HBD 3, PSA 122.03, QED 0.41
Compound (SMILES): O=C(O)CCNC(=O)c1ccc(C(Nc2cnc(-n3cnc(C(F)(F)F)c3)nc2)C2CCCC2)cc1
InChIKey: KUIQXXFGGIPRIS-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 44.7 nM (pChEMBL 7.349999904632568)
Descriptors: MW 502.5, ALogP 4.23, HBA 7, HBD 3, PSA 122.03, QED 0.4
Compound (SMILES): CCC[C@H](Oc1cc(C)c(-n2cc3ccccc3n2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: QCOPOVBWEJSWFQ-SANMLTNESA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 47.8 nM (pChEMBL 7.320000171661377)
Descriptors: MW 485.58, ALogP 5.77, HBA 5, HBD 2, PSA 93.45, QED 0.3
Compound (SMILES): CC1(C)CC([C@@H](Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)c2ccc(C(=O)NCCC(=O)O)cc2)C1
InChIKey: MYZIDYJMNWEJMC-QHCPKHFHSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 515.54, ALogP 5.08, HBA 6, HBD 3, PSA 109.14, QED 0.37
Compound (SMILES): CC1(C)CC([C@H](Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)c2ccc(C(=O)NCCC(=O)O)cc2)C1
InChIKey: MYZIDYJMNWEJMC-HSZRJFAPSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 515.54, ALogP 5.08, HBA 6, HBD 3, PSA 109.14, QED 0.37
Compound (SMILES): CCC[C@@H](Nc1ccc(-n2cc(C(C)(C)C)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: MNXYURVTSFMFCH-JOCHJYFZSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 30.2 nM (pChEMBL 7.519999980926514)
Descriptors: MW 463.58, ALogP 4.72, HBA 6, HBD 3, PSA 109.14, QED 0.4
Compound (SMILES): CCC[C@H](Nc1ccc(-n2cc(C(C)(C)C)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIKey: MNXYURVTSFMFCH-QFIPXVFZSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 20.2 nM (pChEMBL 7.699999809265137)
Descriptors: MW 463.58, ALogP 4.72, HBA 6, HBD 3, PSA 109.14, QED 0.4
Compound (SMILES): CC(C)C[C@@H](Nc1ccc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cn1
InChIKey: DMIMBEUUHWOCBQ-LJQANCHMSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 636 nM (pChEMBL 6.199999809265137)
Descriptors: MW 490.49, ALogP 4.08, HBA 7, HBD 3, PSA 122.03, QED 0.39
Compound (SMILES): CC(C)C[C@H](Nc1ccc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cn1
InChIKey: DMIMBEUUHWOCBQ-IBGZPJMESA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 57.4 nM (pChEMBL 7.239999771118164)
Descriptors: MW 490.49, ALogP 4.08, HBA 7, HBD 3, PSA 122.03, QED 0.39
Compound (SMILES): O=C(O)CCNC(=O)c1ccc([C@@H](Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)C2CCCCC2)cc1
InChIKey: BUHOCUGQWONNJV-DEOSSOPVSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 9.05 nM (pChEMBL 8.039999961853027)
Descriptors: MW 515.54, ALogP 5.22, HBA 6, HBD 3, PSA 109.14, QED 0.36
Compound (SMILES): O=C(O)CCNC(=O)c1ccc([C@H](Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)C2CCCCC2)cc1
InChIKey: BUHOCUGQWONNJV-XMMPIXPASA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 26.7 nM (pChEMBL 7.570000171661377)
Descriptors: MW 515.54, ALogP 5.22, HBA 6, HBD 3, PSA 109.14, QED 0.36
Compound (SMILES): CC1(C)CC(C(Oc2cnc(-n3cc(C(F)(F)F)cn3)nc2)c2ccc(C(=O)NCCC(=O)O)cc2)C1
InChIKey: CKDVHUYSHSSFHK-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 94.9 nM (pChEMBL 7.019999980926514)
Descriptors: MW 517.51, ALogP 4.44, HBA 7, HBD 2, PSA 119.23, QED 0.43
Compound (SMILES): CCOC(=O)CCNC(=O)c1ccc(C(Oc2cnc(-n3cc(C(F)(F)F)cn3)nc2)C2CC(C)(C)C2)cc1
InChIKey: FQFPCWUNNDIYCC-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 251 nM (pChEMBL 6.599999904632568)
Descriptors: MW 545.56, ALogP 4.92, HBA 8, HBD 1, PSA 108.23, QED 0.36
Compound (SMILES): CCOC(=O)CCNC(=O)c1ccc(C(Nc2cnc(-n3cc(C(F)(F)F)cn3)nc2)C2CC(C)(C)C2)cc1
InChIKey: JMTMNMHWZNMAJJ-UHFFFAOYSA-N
Target: Pro-glucagon (SINGLE PROTEIN), Homo sapiens
UniProt: P01275
Assay: Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
Measurement: Ki = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 544.58, ALogP 4.95, HBA 8, HBD 2, PSA 111.03, QED 0.35
Compound (SMILES): Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cnn1
InChIKey: VPRKLYSUWJNDQF-NFBKMPQASA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 24.2 nM (pChEMBL 7.619999885559082)
Descriptors: MW 457.36, ALogP 4.81, HBA 5, HBD 0, PSA 68.21, QED 0.55
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: COVUKGPFFMXSHN-NFBKMPQASA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 47.8 nM (pChEMBL 7.320000171661377)
Descriptors: MW 527.47, ALogP 3.57, HBA 5, HBD 0, PSA 83.05, QED 0.59
Compound (SMILES): CC1(C(=O)N2CCN(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)CC1
InChIKey: FGKABCDGMSEXPW-AJTFRIOCSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 7.2 nM (pChEMBL 8.140000343322754)
Descriptors: MW 531.48, ALogP 4.94, HBA 4, HBD 0, PSA 65.98, QED 0.55
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccnc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: XXAPJOJLBDOCBF-AUSIDOKSSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 61.8 nM (pChEMBL 7.210000038146973)
Descriptors: MW 476.79, ALogP 5.76, HBA 4, HBD 0, PSA 55.32, QED 0.44
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: ICKOKHFKDMWARV-ATIYNZHBSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 35.2 nM (pChEMBL 7.449999809265137)
Descriptors: MW 508.41, ALogP 5.29, HBA 6, HBD 0, PSA 73.14, QED 0.35
Compound (SMILES): Cc1noc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)n1
InChIKey: BTXHLMHMQLSBCS-YIXXDRMTSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 4.3 nM (pChEMBL 8.369999885559082)
Descriptors: MW 523.42, ALogP 6.07, HBA 6, HBD 0, PSA 81.35, QED 0.31
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: LAYPBAPTXNKFID-RCZVLFRGSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 45.1 nM (pChEMBL 7.349999904632568)
Descriptors: MW 466.37, ALogP 5.58, HBA 4, HBD 0, PSA 66.22, QED 0.49
Compound (SMILES): COc1ccc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cn1
InChIKey: FCTNASBMMMBDGD-HYBUGGRVSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 56.3 nM (pChEMBL 7.25)
Descriptors: MW 472.37, ALogP 5.12, HBA 5, HBD 0, PSA 64.55, QED 0.5
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: JOFQHYSJCQHPRH-NFBKMPQASA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 87.4 nM (pChEMBL 7.059999942779541)
Descriptors: MW 449.38, ALogP 4.83, HBA 4, HBD 0, PSA 51.66, QED 0.66
Compound (SMILES): CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1
InChIKey: NHHAITUNSAOXKW-RCZVLFRGSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 10.6 nM (pChEMBL 7.96999979019165)
Descriptors: MW 490.43, ALogP 4.66, HBA 4, HBD 0, PSA 62.74, QED 0.61
Compound (SMILES): CC(C)CN1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1
InChIKey: QWZHYWFCPXZCPR-SHQCIBLASA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 22.5 nM (pChEMBL 7.650000095367432)
Descriptors: MW 504.5, ALogP 5.77, HBA 4, HBD 0, PSA 45.67, QED 0.48
Compound (SMILES): CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1
InChIKey: GQNPAPVTPFDKAS-YIXXDRMTSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 8.7 nM (pChEMBL 8.0600004196167)
Descriptors: MW 518.49, ALogP 5.29, HBA 4, HBD 0, PSA 62.74, QED 0.52
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: LNKSCGISMNPUMD-GGXMVOPNSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 530.54, ALogP 6.44, HBA 4, HBD 0, PSA 45.67, QED 0.43
Compound (SMILES): Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1
InChIKey: RIZQPIAVLUBOQY-VAVYLYDRSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 539.51, ALogP 6.02, HBA 5, HBD 0, PSA 58.56, QED 0.38
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: WKLSHIPGLRQUCP-VAVYLYDRSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 3.7 nM (pChEMBL 8.430000305175781)
Descriptors: MW 550.49, ALogP 5.58, HBA 6, HBD 0, PSA 82.35, QED 0.4
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: IRRCLDCRDZZFQZ-POURPWNDSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 549.5, ALogP 6.19, HBA 5, HBD 0, PSA 69.46, QED 0.37
Compound (SMILES): CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1
InChIKey: RWMMALLVDRWQGJ-PDDLMNHVSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 5.9 nM (pChEMBL 8.229999542236328)
Descriptors: MW 567.52, ALogP 5.91, HBA 6, HBD 0, PSA 75.63, QED 0.33
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: CVXLYMZEKINRIJ-UFHPHHKVSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 11.2 nM (pChEMBL 7.949999809265137)
Descriptors: MW 543.47, ALogP 5.85, HBA 5, HBD 0, PSA 58.56, QED 0.39
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: OTNFBGWJFGXRRO-UFHPHHKVSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 19.3 nM (pChEMBL 7.710000038146973)
Descriptors: MW 559.93, ALogP 6.36, HBA 5, HBD 0, PSA 58.56, QED 0.35
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: AHSXMAQCWOVQLS-ZJSXRUAMSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 467.36, ALogP 4.98, HBA 5, HBD 0, PSA 79.11, QED 0.53
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: AXZRKMLGUZQSDI-UFHPHHKVSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 27.2 nM (pChEMBL 7.570000171661377)
Descriptors: MW 593.48, ALogP 6.73, HBA 5, HBD 0, PSA 58.56, QED 0.32
Compound (SMILES): Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)no1
InChIKey: AYIOTEKTRIMPPZ-YIXXDRMTSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 26.1 nM (pChEMBL 7.579999923706055)
Descriptors: MW 523.42, ALogP 6.07, HBA 6, HBD 0, PSA 81.35, QED 0.31
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: CQCKDKMMEDMRCF-GGXMVOPNSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 4.4 nM (pChEMBL 8.359999656677246)
Descriptors: MW 550.49, ALogP 5.58, HBA 6, HBD 0, PSA 82.35, QED 0.4
Compound (SMILES): COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nn1
InChIKey: GLRIOVWUOQEVPB-QDPGVEIFSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 11.4 nM (pChEMBL 7.940000057220459)
Descriptors: MW 556.49, ALogP 5.11, HBA 7, HBD 0, PSA 80.68, QED 0.4
Compound (SMILES): C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1
InChIKey: HOIMOLDXAZXJMF-VAVYLYDRSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Competition Binding Assay: Competition binding assay using hNK3 receptor.
Measurement: Ki = 93.1 nM (pChEMBL 7.03000020980835)
Descriptors: MW 538.48, ALogP 6.23, HBA 4, HBD 0, PSA 62.74, QED 0.37
Compound (SMILES): CCO/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: SQUIMUNWIZKHQI-DHRITJCHSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 363.4, ALogP 3.77, HBA 6, HBD 0, PSA 64.67, QED 0.4
Compound (SMILES): CO/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: ADCSWIVUDXJHKA-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 349.37, ALogP 3.38, HBA 6, HBD 0, PSA 64.67, QED 0.42
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: OOOQQBXVJMGTTP-DHRITJCHSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 379.39, ALogP 2.74, HBA 7, HBD 1, PSA 84.9, QED 0.32
Compound (SMILES): CCO/N=C(\C)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIKey: UWYBIAQHEVKYNM-ZVHZXABRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 345.41, ALogP 3.63, HBA 6, HBD 0, PSA 64.67, QED 0.41
Compound (SMILES): CO/N=C(\C)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIKey: MKFXSOFHDQGJHJ-YDZHTSKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 331.38, ALogP 3.24, HBA 6, HBD 0, PSA 64.67, QED 0.43
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIKey: DBLFSQIPRXMADV-ZVHZXABRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 5.5 nM (pChEMBL 8.260000228881836)
Descriptors: MW 361.4, ALogP 2.6, HBA 7, HBD 1, PSA 84.9, QED 0.32
Compound (SMILES): C/C(=N\OC(CO)CO)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIKey: WQHZBGQNRFGLRA-AFUMVMLFSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 391.43, ALogP 1.96, HBA 8, HBD 2, PSA 105.13, QED 0.37
Compound (SMILES): CO/N=C(\C)c1ccc2ncc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: GQDGKIBORYIPCN-OPEKNORGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 1.8 nM (pChEMBL 8.739999771118164)
Descriptors: MW 367.36, ALogP 3.52, HBA 6, HBD 0, PSA 64.67, QED 0.41
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: KJZCMRGSXUDMRS-RPPGKUMJSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 6.7 nM (pChEMBL 8.170000076293945)
Descriptors: MW 397.39, ALogP 2.88, HBA 7, HBD 1, PSA 84.9, QED 0.31
Compound (SMILES): CO/N=C(\C)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: UKOHZYVLIPEGSG-KIBLKLHPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 383.36, ALogP 3.01, HBA 7, HBD 1, PSA 84.9, QED 0.43
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc([C@@H](C)c3cc4cccnc4cc3F)n2n1
InChIKey: GDAYFDQSHBRCBT-VLJKMFQDSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 393.42, ALogP 3.3, HBA 7, HBD 1, PSA 84.9, QED 0.31
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: XOSSPXPZHOYILG-VEHWCJERSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 411.41, ALogP 3.44, HBA 7, HBD 1, PSA 84.9, QED 0.3
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc(Cc3ccc4c(cnn4C)c3)n2n1
InChIKey: LNVOIOAXZYKNJW-YDZHTSKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 364.41, ALogP 1.94, HBA 8, HBD 1, PSA 89.83, QED 0.32
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc(C(C)c3ccc4c(cnn4C)c3)n2n1
InChIKey: NWUDSUXTTGVNMW-ZVHZXABRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 55 nM (pChEMBL 7.260000228881836)
Descriptors: MW 378.44, ALogP 2.5, HBA 8, HBD 1, PSA 89.83, QED 0.32
Compound (SMILES): C/C(=N\OCCO)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: JGVUIVOGXPIIDA-BHGWPJFGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 2.8 nM (pChEMBL 8.550000190734863)
Descriptors: MW 381.37, ALogP 1.69, HBA 9, HBD 1, PSA 111.2, QED 0.31
Compound (SMILES): CO/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: MNCJKDUTNDISPD-AUEPDCJTSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 7.3 nM (pChEMBL 8.140000343322754)
Descriptors: MW 351.35, ALogP 2.33, HBA 8, HBD 0, PSA 90.97, QED 0.41
Compound (SMILES): C/C(=N\OC(C)(C)CO)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: VUDHEWMVNHDLHF-RPPGKUMJSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 409.43, ALogP 2.47, HBA 9, HBD 1, PSA 111.2, QED 0.38
Compound (SMILES): C/C(=N\OCC(C)(C)O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: ZTNCZRCXSLAVDK-RPPGKUMJSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 409.43, ALogP 2.47, HBA 9, HBD 1, PSA 111.2, QED 0.38
Compound (SMILES): C/C(=N\O[C@H]1CCNC1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: ZGPIDUWSADXAIJ-OJMOCAQPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 5.4 nM (pChEMBL 8.270000457763672)
Descriptors: MW 406.43, ALogP 2.06, HBA 9, HBD 1, PSA 103, QED 0.4
Compound (SMILES): C/C(=N\O[C@@H]1CCNC1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: ZGPIDUWSADXAIJ-QLNWWMQYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 406.43, ALogP 2.06, HBA 9, HBD 1, PSA 103, QED 0.4
Compound (SMILES): C/C(=N\O[C@H]1CCN(C(N)=O)C1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: FCIFIOGKPYTECU-LWABSXGCSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 449.45, ALogP 1.85, HBA 9, HBD 1, PSA 137.3, QED 0.36
Compound (SMILES): CO/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: DXHVTERDNXZQNS-SSDVNMTOSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 333.36, ALogP 2.19, HBA 8, HBD 0, PSA 90.97, QED 0.42
Compound (SMILES): C/C(=N\OCCO)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: CFSMKRSSPRURMG-FSJBWODESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 363.38, ALogP 1.55, HBA 9, HBD 1, PSA 111.2, QED 0.31
Compound (SMILES): CC(N=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: SZIYSHXCRQJLNX-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 319.33, ALogP 2.65, HBA 8, HBD 0, PSA 98.81, QED 0.54
Compound (SMILES): CCO/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: NIOPLTDVLBVOMY-FSJBWODESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 347.38, ALogP 2.58, HBA 8, HBD 0, PSA 90.97, QED 0.41
Compound (SMILES): C/C(=N\OC(CO)CO)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: HYDKBFWOKQQCIF-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 393.41, ALogP 0.91, HBA 10, HBD 2, PSA 131.43, QED 0.35
Compound (SMILES): C/C(=N\OCC(O)CO)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: KUMSNGMQFQVMGX-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 393.41, ALogP 0.91, HBA 10, HBD 2, PSA 131.43, QED 0.35
Compound (SMILES): C/C(=N\OCc1ccccc1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: MKOZIAUTORDZRR-LQKURTRISA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 409.45, ALogP 3.76, HBA 8, HBD 0, PSA 90.97, QED 0.31
Compound (SMILES): COc1ccc(CO/N=C(\C)c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1
InChIKey: KTZPFIZYJXRXOG-MUFRIFMGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 590 nM (pChEMBL 6.230000019073486)
Descriptors: MW 439.48, ALogP 3.77, HBA 9, HBD 0, PSA 100.2, QED 0.28
Compound (SMILES): C/C(=N\OC1CCNCC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: CGHGHMJTEAPLQE-MZJWZYIUSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 402.46, ALogP 2.31, HBA 9, HBD 1, PSA 103, QED 0.4
Compound (SMILES): C/C(=N\OCC1CCNCC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: IYDJLLFRPDINJR-RWPZCVJISA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 416.49, ALogP 2.56, HBA 9, HBD 1, PSA 103, QED 0.38
Compound (SMILES): COC(=O)CO/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: GBRXAFGSUCLZIM-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 391.39, ALogP 1.73, HBA 10, HBD 0, PSA 117.27, QED 0.28
Compound (SMILES): C/C(=N\OCC(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: BKMXKAVGJVNJNE-BHGWPJFGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 32.5 nM (pChEMBL 7.489999771118164)
Descriptors: MW 376.38, ALogP 1.04, HBA 9, HBD 1, PSA 134.06, QED 0.39
Compound (SMILES): C/C(=N\OCC(C)(C)O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: APWPKMNNVHQNNF-DHRITJCHSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 391.44, ALogP 2.33, HBA 9, HBD 1, PSA 111.2, QED 0.4
Compound (SMILES): C/C(=N\OCCN)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: FKDCFTCWGQQZSP-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 362.4, ALogP 1.52, HBA 9, HBD 1, PSA 116.99, QED 0.31
Compound (SMILES): C/C(=N\OC1CCNC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: SSXORFSXSFSXSD-LGJNPRDNSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 388.44, ALogP 1.92, HBA 9, HBD 1, PSA 103, QED 0.41
Compound (SMILES): C/C(=N\OC(C)CO)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: WHSRPZSAGVIIOM-ZMOGYAJESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 377.41, ALogP 1.94, HBA 9, HBD 1, PSA 111.2, QED 0.4
Compound (SMILES): COC(=O)NCCO/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: MLJLRCOGNFZSIE-LGJNPRDNSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 16.5 nM (pChEMBL 7.78000020980835)
Descriptors: MW 420.43, ALogP 1.91, HBA 10, HBD 1, PSA 129.3, QED 0.27
Compound (SMILES): C/C(=N\OCCNC(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: YXLHJMBGSRZXID-RPPGKUMJSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 3.9 nM (pChEMBL 8.40999984741211)
Descriptors: MW 405.42, ALogP 1.23, HBA 9, HBD 2, PSA 146.09, QED 0.27
Compound (SMILES): OCCO/N=C/c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: DFZRGYVIDNRPDG-KEBDBYFISA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 349.35, ALogP 1.16, HBA 9, HBD 1, PSA 111.2, QED 0.32
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc(C(C)c3cc4cnn(C)c4cc3F)n2n1
InChIKey: FYVCBFXRWYNZNX-DHRITJCHSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 444 nM (pChEMBL 6.349999904632568)
Descriptors: MW 396.43, ALogP 2.64, HBA 8, HBD 1, PSA 89.83, QED 0.31
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1
InChIKey: KHVGGJSQSVFICL-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 382.4, ALogP 2.08, HBA 8, HBD 1, PSA 89.83, QED 0.31
Compound (SMILES): CO/N=C(\C)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: LRIBBTBIWGQKDD-FSJBWODESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 332.37, ALogP 2.63, HBA 7, HBD 0, PSA 77.56, QED 0.42
Compound (SMILES): O=C(/C=C/c1ccc2c(c1)nc(-c1ccccn1)n2CCCO)NO
InChIKey: IKNHRCJRYGVRLA-SOFGYWHQSA-N
Target: Histone deacetylase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BY41
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 141 nM (pChEMBL 6.849999904632568)
Descriptors: MW 338.37, ALogP 2, HBA 6, HBD 3, PSA 100.27, QED 0.36
Compound (SMILES): O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCc1ccccn1)NO
InChIKey: RHGPUIOPSDWMQN-SDNWHVSQSA-N
Target: Histone deacetylase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BY41
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 412.49, ALogP 3.98, HBA 5, HBD 2, PSA 80.04, QED 0.26
Compound (SMILES): CC(C)Cc1nc2cc(/C=C/C(=O)NO)ccc2n1CCc1ccccn1
InChIKey: KVNZQKPVVLNRCA-VQHVLOKHSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 1326 nM (pChEMBL 5.880000114440918)
Descriptors: MW 364.45, ALogP 3.39, HBA 5, HBD 2, PSA 80.04, QED 0.38
Compound (SMILES): CC(C)Cc1nc2cc(/C=C/C(=O)NO)ccc2n1CCc1ccccc1
InChIKey: AVLNTTBZNFFQQT-PKNBQFBNSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 1320 nM (pChEMBL 5.880000114440918)
Descriptors: MW 363.46, ALogP 4, HBA 4, HBD 2, PSA 67.15, QED 0.38
Compound (SMILES): O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCc1cccnc1)NO
InChIKey: QAAVMDJOBPIAGN-JLHYYAGUSA-N
Target: Histone deacetylase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BY41
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 329 nM (pChEMBL 6.480000019073486)
Descriptors: MW 412.49, ALogP 3.98, HBA 5, HBD 2, PSA 80.04, QED 0.26
Compound (SMILES): O=C(/C=C/c1ccc2c(c1)nc(COCc1ccccc1)n2CCc1cccnc1)NO
InChIKey: HWJMZKSSTQVCAT-PKNBQFBNSA-N
Target: Histone deacetylase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BY41
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 428.49, ALogP 3.91, HBA 6, HBD 2, PSA 89.27, QED 0.24
Compound (SMILES): CC(C)Cc1nc2cc(/C=C/C(=O)NO)ccc2n1Cc1ccccc1
InChIKey: QWYLMBJILJFWTP-PKNBQFBNSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 1460 nM (pChEMBL 5.840000152587891)
Descriptors: MW 349.43, ALogP 3.8, HBA 4, HBD 2, PSA 67.15, QED 0.4
Compound (SMILES): O=C(/C=C/c1ccc2c(c1)ncn2Cc1ccccc1)NO
InChIKey: KLZDVJSEKLJJAV-VQHVLOKHSA-N
Target: Histone deacetylase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BY41
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 412 nM (pChEMBL 6.380000114440918)
Descriptors: MW 293.33, ALogP 2.6, HBA 4, HBD 2, PSA 67.15, QED 0.44
Compound (SMILES): CCCn1cnc2cc(/C=C/C(=O)NO)ccc21
InChIKey: DBVAKOJIFVFVBW-GQCTYLIASA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 897 nM (pChEMBL 6.050000190734863)
Descriptors: MW 245.28, ALogP 1.96, HBA 4, HBD 2, PSA 67.15, QED 0.49
Compound (SMILES): CN1c2ccc(/C=C/C(=O)NO)cc2NC1CCc1ccccc1
InChIKey: YCHJYGNSTWNHBK-FMIVXFBMSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 356 nM (pChEMBL 6.449999809265137)
Descriptors: MW 323.4, ALogP 3.03, HBA 4, HBD 3, PSA 64.6, QED 0.45
Compound (SMILES): O=NOc1ccc(/N=N/Cc2ccc(O)c(O)c2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIKey: DOFQAFOHRJQFBK-QURGRASLSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 462.87, ALogP 4.9, HBA 9, HBD 3, PSA 150.01, QED 0.19
Compound (SMILES): O=C(/C=C/c1ccc2c(c1)N(Cc1ccccc1)C(CCc1ccccc1)N2)NO
InChIKey: YSMHLCHOLBSELW-DTQAZKPQSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 1140 nM (pChEMBL 5.940000057220459)
Descriptors: MW 399.49, ALogP 4.6, HBA 4, HBD 3, PSA 64.6, QED 0.31
Compound (SMILES): O=C1N=C(N2CCN(Cc3ccccc3B(O)O)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1
InChIKey: GILNVXHIMLZKLO-UNOMPAQXSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 476.19
Compound (SMILES): C=CCn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIKey: OLETVVCRMWHMFJ-JLHYYAGUSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 1260 nM (pChEMBL 5.900000095367432)
Descriptors: MW 347.42, ALogP 3.53, HBA 4, HBD 2, PSA 67.15, QED 0.3
Compound (SMILES): CC(C)OCCCn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIKey: LQORYZAQOGZPJE-SDNWHVSQSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 1690 nM (pChEMBL 5.769999980926514)
Descriptors: MW 407.51, ALogP 4.16, HBA 5, HBD 2, PSA 76.38, QED 0.23
Compound (SMILES): CN1CCN(CCCn2c(CCc3ccccc3)nc3cc(/C=C/C(=O)NO)ccc32)CC1
InChIKey: MYQSRLPEWMYXIC-JLHYYAGUSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 447.58, ALogP 2.98, HBA 6, HBD 2, PSA 73.63, QED 0.3