lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CN(C)[C@@H]1C2
InChIKey: DCUMIDJWPPBCIY-SFHLNBCPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 467.74 nM (pChEMBL 6.329999923706055)
Descriptors: MW 421.55, ALogP 1.87, HBA 6, HBD 0, PSA 61.8, QED 0.75
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CN(C)[C@@H]1C2
InChIKey: UBKRRUJKVYCFGQ-MQSCRBSSSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 3.548 nM (pChEMBL 8.449999809265137)
Descriptors: MW 445.57, ALogP 2.35, HBA 6, HBD 0, PSA 72.7, QED 0.72
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CN(C)[C@@H]1C2
InChIKey: OIKRKSTZZIMNJL-WOIUINJBSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 104.71 nM (pChEMBL 6.980000019073486)
Descriptors: MW 488.55, ALogP 3.49, HBA 5, HBD 0, PSA 48.91, QED 0.66
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccc4OS(=O)(=O)C(F)(F)F)CC3)CN(C)[C@@H]1C2
InChIKey: HXSFAPIPSVCGNS-SFHLNBCPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 562.34 nM (pChEMBL 6.25)
Descriptors: MW 568.62, ALogP 2.7, HBA 8, HBD 0, PSA 92.28, QED 0.4
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(OCc5ccccc5)n4)CC3)CN(C)[C@@H]1C2
InChIKey: FXCGZOIUXOVRMD-STROYTFGSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 104.71 nM (pChEMBL 6.980000019073486)
Descriptors: MW 526.68, ALogP 4.05, HBA 6, HBD 0, PSA 58.14, QED 0.48
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(=O)[nH]4)CC3)CN(C)[C@@H]1C2
InChIKey: BNGQXABJFRJMKO-SFHLNBCPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 7.586 nM (pChEMBL 8.119999885559082)
Descriptors: MW 436.56, ALogP 1.77, HBA 5, HBD 1, PSA 68.88, QED 0.79
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(=O)n4C)CC3)CN(C)[C@@H]1C2
InChIKey: HAFHOGWQDQXSBZ-KCZVDYSFSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 7.244 nM (pChEMBL 8.140000343322754)
Descriptors: MW 450.58, ALogP 1.78, HBA 6, HBD 0, PSA 58.02, QED 0.71
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccccc45)CC3)CN(C)[C@@H]1C2
InChIKey: FABFUAOVAJIURP-PRVBGKCFSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 87.1 nM (pChEMBL 7.059999942779541)
Descriptors: MW 469.63, ALogP 4.23, HBA 4, HBD 0, PSA 36.02, QED 0.58
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccc(C#N)cc45)CC3)CN(C)[C@@H]1C2
InChIKey: IANUKZYEFHFNGQ-ITLAICGJSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 8.71 nM (pChEMBL 8.0600004196167)
Descriptors: MW 494.64, ALogP 4.1, HBA 5, HBD 0, PSA 59.81, QED 0.55
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc(C)nc5ccccc45)CC3)CN(C)[C@@H]1C2
InChIKey: IVSIANNCOBKAET-AZSVPQILSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 691.83 nM (pChEMBL 6.159999847412109)
Descriptors: MW 484.64, ALogP 3.94, HBA 5, HBD 0, PSA 48.91, QED 0.56
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5ccccc5n4)CC3)CN(C)[C@@H]1C2
InChIKey: LVHUMTFXKYMKOO-JQYIIUTOSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 27.54 nM (pChEMBL 7.559999942779541)
Descriptors: MW 470.62, ALogP 3.63, HBA 5, HBD 0, PSA 48.91, QED 0.59
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc5ccccc5cn4)CC3)CN(C)[C@@H]1C2
InChIKey: BTROGWFQFNBJSW-DGWZTRNLSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 288.4 nM (pChEMBL 6.539999961853027)
Descriptors: MW 470.62, ALogP 3.63, HBA 5, HBD 0, PSA 48.91, QED 0.59
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nccnc5n4)CC3)CN(C)[C@@H]1C2
InChIKey: GPFKYBOICCEFEI-TXTKFYIRSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 5.754 nM (pChEMBL 8.239999771118164)
Descriptors: MW 472.59, ALogP 2.42, HBA 7, HBD 0, PSA 74.69, QED 0.58
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc5nccnc5cn4)CC3)CN(C)[C@@H]1C2
InChIKey: PBAMQOGRZCXSFW-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 354.81 nM (pChEMBL 6.449999809265137)
Descriptors: MW 472.59, ALogP 2.42, HBA 7, HBD 0, PSA 74.69, QED 0.58
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nonc45)CC3)CN(C)[C@@H]1C2
InChIKey: IXYSHRRKNGKTJW-DNVFCKCGSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 3.631 nM (pChEMBL 8.4399995803833)
Descriptors: MW 461.57, ALogP 2.62, HBA 7, HBD 0, PSA 74.94, QED 0.59
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nonc5c4)CC3)CN(C)[C@@H]1C2
InChIKey: NBFNAWPEIHEEBP-KHCICDEESA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 1.698 nM (pChEMBL 8.770000457763672)
Descriptors: MW 461.57, ALogP 2.62, HBA 7, HBD 0, PSA 74.94, QED 0.59
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nsnc45)CC3)CN(C)[C@@H]1C2
InChIKey: RQNQJIVKBHFCBI-DNVFCKCGSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 2.754 nM (pChEMBL 8.5600004196167)
Descriptors: MW 477.63, ALogP 3.08, HBA 7, HBD 0, PSA 61.8, QED 0.58
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5c4)CC3)CN(C)[C@@H]1C2
InChIKey: NCSBHDNNVUROKC-KHCICDEESA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 10.72 nM (pChEMBL 7.96999979019165)
Descriptors: MW 477.63, ALogP 3.08, HBA 7, HBD 0, PSA 61.8, QED 0.58
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)CN(C)[C@@H]1C2
InChIKey: SLBGLJSBVMFRBB-KCZVDYSFSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 87.1 nM (pChEMBL 7.059999942779541)
Descriptors: MW 460.58, ALogP 2.12, HBA 7, HBD 0, PSA 66.21, QED 0.6
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)CN(C)[C@@H]1C2
InChIKey: CHLMCHGGCOWFHI-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 17.78 nM (pChEMBL 7.75)
Descriptors: MW 437.56, ALogP 3.22, HBA 4, HBD 0, PSA 36.02, QED 0.74
Compound (SMILES): CC1CCN(c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1
InChIKey: JETQDUBHADSBQE-UHFFFAOYSA-N
Target: Breast cancer type 1 susceptibility protein (SINGLE PROTEIN), Homo sapiens
UniProt: P38398
Assay: Inhibition of BRCA1 assessed as BRCT-BACH1 interaction
Measurement: Ki = 39000 nM (pChEMBL 4.409999847412109)
Descriptors: MW 341.43, ALogP 3.3, HBA 4, HBD 0, PSA 54.45, QED 0.68
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(F)c4)CC3)CN(C)[C@@H]1C2
InChIKey: QNUFECZBPWNNOE-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 3.311 nM (pChEMBL 8.479999542236328)
Descriptors: MW 437.56, ALogP 3.22, HBA 4, HBD 0, PSA 36.02, QED 0.74
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CN(C)[C@@H]1C2
InChIKey: VVXWLELWIKRCJZ-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 3.388 nM (pChEMBL 8.470000267028809)
Descriptors: MW 437.56, ALogP 3.22, HBA 4, HBD 0, PSA 36.02, QED 0.74
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CN(C)[C@@H]1C2
InChIKey: HZHOVOHGWFXBLL-TZBSWOFLSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 444.58, ALogP 2.95, HBA 5, HBD 0, PSA 59.81, QED 0.73
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CN(C)[C@@H]1C2
InChIKey: GVDMRBUYVYGHQH-TZBSWOFLSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 8.128 nM (pChEMBL 8.09000015258789)
Descriptors: MW 444.58, ALogP 2.95, HBA 5, HBD 0, PSA 59.81, QED 0.73
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2
InChIKey: CFMKYZVCHNZHHU-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 1.288 nM (pChEMBL 8.890000343322754)
Descriptors: MW 464.57, ALogP 2.99, HBA 6, HBD 0, PSA 79.16, QED 0.51
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)CN(C)[C@@H]1C2
InChIKey: JZKDHOALYJMKLS-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 1.318 nM (pChEMBL 8.880000114440918)
Descriptors: MW 464.57, ALogP 2.99, HBA 6, HBD 0, PSA 79.16, QED 0.51
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CN(C)[C@@H]1C2
InChIKey: OLESECYJSQJLTK-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 23.44 nM (pChEMBL 7.630000114440918)
Descriptors: MW 487.57, ALogP 4.1, HBA 4, HBD 0, PSA 36.02, QED 0.65
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)CN(C)[C@@H]1C2
InChIKey: UPYKZJUDJKDDFU-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 275.42 nM (pChEMBL 6.559999942779541)
Descriptors: MW 487.57, ALogP 4.1, HBA 4, HBD 0, PSA 36.02, QED 0.65
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(O)cc4)CC3)CN(C)[C@@H]1C2
InChIKey: ZDNPWSSMFWMMEH-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 435.57, ALogP 2.78, HBA 5, HBD 1, PSA 56.25, QED 0.8
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CN(C)[C@@H]1C2
InChIKey: DSVNWTDGURPBDC-JQYIIUTOSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 151.36 nM (pChEMBL 6.820000171661377)
Descriptors: MW 461.61, ALogP 3.28, HBA 5, HBD 0, PSA 53.09, QED 0.65
Compound (SMILES): O=C1c2ccccc2S(=O)(=O)c2cc(N3CCC(Cc4ccccc4)CC3)ccc21
InChIKey: SNBVDJJFZVGXAL-UHFFFAOYSA-N
Target: Breast cancer type 1 susceptibility protein (SINGLE PROTEIN), Homo sapiens
UniProt: P38398
Assay: Inhibition of BRCA1 assessed as BRCT-BACH1 interaction
Measurement: Ki = 38000 nM (pChEMBL 4.420000076293945)
Descriptors: MW 417.53, ALogP 4.52, HBA 4, HBD 0, PSA 54.45, QED 0.49
Compound (SMILES): COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1
InChIKey: QETHHTIQYKOZBM-TZBSWOFLSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 162.18 nM (pChEMBL 6.789999961853027)
Descriptors: MW 477.61, ALogP 2.87, HBA 6, HBD 0, PSA 62.32, QED 0.63
Compound (SMILES): NC(=O)C1CCN(c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1
InChIKey: WYQHHTXIRZSJFZ-UHFFFAOYSA-N
Target: Breast cancer type 1 susceptibility protein (SINGLE PROTEIN), Homo sapiens
UniProt: P38398
Assay: Inhibition of BRCA1 assessed as BRCT-BACH1 interaction
Measurement: Ki = 30000 nM (pChEMBL 4.519999980926514)
Descriptors: MW 370.43, ALogP 1.77, HBA 5, HBD 1, PSA 97.54, QED 0.74
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)CN(C)[C@@H]1C2
InChIKey: CNTJSXKDQRSIGB-PQNGQFLHSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 1513.56 nM (pChEMBL 5.820000171661377)
Descriptors: MW 462.59, ALogP 2.18, HBA 5, HBD 1, PSA 79.11, QED 0.75
Compound (SMILES): CCN(CC)C(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1
InChIKey: ONKYEMQRNDCNOT-INNMJMHTSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 1698.24 nM (pChEMBL 5.769999980926514)
Descriptors: MW 518.7, ALogP 3.56, HBA 5, HBD 0, PSA 56.33, QED 0.59
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(=O)[O-])cc4)CC3)CN(C)[C@@H]1C2.[Na+]
InChIKey: DMFIWHYUHMPBQZ-XDRBLFQPSA-M
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 81283.05 nM (pChEMBL 4.090000152587891)
Descriptors: MW 463.58, ALogP 2.78, HBA 5, HBD 1, PSA 73.32, QED 0.75
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CN(C)[C@@H]1C2
InChIKey: KDQDCWZWDFNVFY-DNRQZRRGSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 497.66, ALogP 2.48, HBA 6, HBD 0, PSA 70.16, QED 0.65
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CN(C)[C@@H]1C2
InChIKey: ZLVRMMBNKIZUHL-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 588.84 nM (pChEMBL 6.230000019073486)
Descriptors: MW 498.65, ALogP 1.73, HBA 6, HBD 1, PSA 96.18, QED 0.69
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)CN(C)[C@@H]1C2
InChIKey: DXPGUJSZTUBFCW-KHCICDEESA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 2.818 nM (pChEMBL 8.550000190734863)
Descriptors: MW 455.55, ALogP 3.36, HBA 4, HBD 0, PSA 36.02, QED 0.71
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(F)c4C#N)CC3)CN(C)[C@@H]1C2
InChIKey: MNXNPMZAXBEFRJ-UMEGOILYSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 2.818 nM (pChEMBL 8.550000190734863)
Descriptors: MW 462.57, ALogP 3.09, HBA 5, HBD 0, PSA 59.81, QED 0.7
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C#N)CC3)CN(C)[C@@H]1C2
InChIKey: KPXPZPCOBCPHSK-DZRGJMJISA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 3.236 nM (pChEMBL 8.489999771118164)
Descriptors: MW 489.58, ALogP 2.86, HBA 7, HBD 0, PSA 102.95, QED 0.48
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2
InChIKey: NZPLZXHAAOOZIZ-DNVFCKCGSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 109.65 nM (pChEMBL 6.960000038146973)
Descriptors: MW 532.56, ALogP 4.01, HBA 6, HBD 0, PSA 79.16, QED 0.44
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4S(C)(=O)=O)CC3)CN(C)[C@@H]1C2
InChIKey: UAIKZGHSLDSXHH-YOSAUDMPSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 1.738 nM (pChEMBL 8.760000228881836)
Descriptors: MW 542.66, ALogP 2.39, HBA 8, HBD 0, PSA 113.3, QED 0.42
Compound (SMILES): Cn1cc(C2=C(c3cccc(OCCN)c3)C(=O)NC2=O)c2ccccc21
InChIKey: SBZRRXHZTHRZPW-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of GSK3-beta at 5 uM
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 361.4, ALogP 2.08, HBA 5, HBD 2, PSA 86.35, QED 0.68
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccccn4)CC3)CN(C)[C@@H]1C2
InChIKey: RMFJZIZJUUGTGP-MQSCRBSSSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 208.93 nM (pChEMBL 6.679999828338623)
Descriptors: MW 434.58, ALogP 2.86, HBA 5, HBD 0, PSA 48.91, QED 0.74
Compound (SMILES): O=C(NCc1ccccc1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12
InChIKey: NLZKEHSPVSNZOO-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of GSK3-beta at 5 uM
Measurement: IC50 = 870 nM (pChEMBL 6.059999942779541)
Descriptors: MW 343.39, ALogP 3.87, HBA 3, HBD 3, PSA 78.01, QED 0.53
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2
InChIKey: RFYMFMRQYWPZFX-DNRQZRRGSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 263.03 nM (pChEMBL 6.579999923706055)
Descriptors: MW 478.59, ALogP 3.38, HBA 6, HBD 0, PSA 79.16, QED 0.5
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)CN(C)[C@@H]1C2
InChIKey: HDLKZPVVWCGZOT-TZBSWOFLSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 81.28 nM (pChEMBL 7.090000152587891)
Descriptors: MW 451.01, ALogP 4.7, HBA 3, HBD 0, PSA 32.78, QED 0.68
Compound (SMILES): O=C(NCCc1ccccc1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12
InChIKey: VLBUEFFYBHGVQX-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of GSK3-beta at 5 uM
Measurement: IC50 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 357.41, ALogP 3.91, HBA 3, HBD 3, PSA 78.01, QED 0.51
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccccn4)CC3)CN(C)[C@@H]1C2
InChIKey: VVYOPKDMKXCLQM-PQNGQFLHSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 30.2 nM (pChEMBL 7.519999980926514)
Descriptors: MW 417.55, ALogP 3.44, HBA 4, HBD 0, PSA 45.67, QED 0.77
Compound (SMILES): CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4ccccc4)nc23)cc1
InChIKey: RUVHPDUADRVAFG-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of GSK3-beta at 5 uM
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 450.52, ALogP 3.28, HBA 5, HBD 4, PSA 124.18, QED 0.34
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ncccn4)CC3)CN(C)[C@@H]1C2
InChIKey: DVMFXFNOCDQDLS-KCZVDYSFSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 489.78 nM (pChEMBL 6.309999942779541)
Descriptors: MW 418.54, ALogP 2.84, HBA 5, HBD 0, PSA 58.56, QED 0.77
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CN(C)[C@@H]1C2
InChIKey: LTEYDHXSVIXJGA-UMEGOILYSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 489.78 nM (pChEMBL 6.309999942779541)
Descriptors: MW 474.61, ALogP 3.24, HBA 5, HBD 1, PSA 70.57, QED 0.63
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCc4c([nH]c5ccccc45)C3)CN(C)[C@@H]1C2
InChIKey: IJWFRTSKNOENFW-MPCDZSKCSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 70.79 nM (pChEMBL 7.150000095367432)
Descriptors: MW 429.56, ALogP 3.8, HBA 3, HBD 1, PSA 48.57, QED 0.67
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(C)[C@@H]1C2
InChIKey: XKMXJZUDLOFARU-VDKIKQQVSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 457.09 nM (pChEMBL 6.340000152587891)
Descriptors: MW 433.6, ALogP 3.07, HBA 4, HBD 0, PSA 36.02, QED 0.74
Compound (SMILES): COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCNCC3)CN(C)[C@@H]1C2
InChIKey: LSPLUDUYNUDLND-JFIYKMOQSA-N
Target: Somatostatin receptor type 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P28646
Assay: Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
Measurement: Kd = 10471.29 nM (pChEMBL 4.980000019073486)
Descriptors: MW 343.47, ALogP 1.16, HBA 4, HBD 1, PSA 44.81, QED 0.88
Compound (SMILES): O=C(NCCc1ccccc1)c1ccc(O)c2[nH]c(-c3ccc(Cl)cc3Cl)nc12
InChIKey: XUPWWSYXJNCEDU-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of GSK3-beta at 5 uM
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 426.3, ALogP 5.21, HBA 3, HBD 3, PSA 78.01, QED 0.41
Compound (SMILES): CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc(-c4ccc(Cl)cc4Cl)[nH]c23)cc1
InChIKey: BFHQTAMNYUCFBP-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Inhibition of GSK3-beta at 5 uM
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 519.41, ALogP 4.59, HBA 5, HBD 4, PSA 124.18, QED 0.28
Compound (SMILES): C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)C[C@@]21C
InChIKey: BYVDCSLCMPQTKD-LGTDJHALSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 588.73, ALogP 7.53, HBA 3, HBD 1, PSA 54.37, QED 0.24
Compound (SMILES): C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(OCC)OCC)cc3)C[C@@]21C
InChIKey: BBQPRPRCQIFLIO-PABOLRIOSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 524.64, ALogP 6.78, HBA 5, HBD 1, PSA 72.83, QED 0.3
Compound (SMILES): CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)C[C@@]21C
InChIKey: ZDRUXXZVOLZIBA-LGTDJHALSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 586.71, ALogP 6.98, HBA 3, HBD 1, PSA 54.37, QED 0.27
Compound (SMILES): CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(OCC)OCC)cc3)C[C@@]21C
InChIKey: SUBXROOMJNLXRP-PABOLRIOSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
Measurement: Ki = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 522.62, ALogP 6.23, HBA 5, HBD 1, PSA 72.83, QED 0.35
Compound (SMILES): CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(C)(C)=O)cc3)C[C@@]21C
InChIKey: YSJVBSSZEGNKMZ-GCNJZUOMSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 462.57, ALogP 5.59, HBA 3, HBD 1, PSA 54.37, QED 0.46
Compound (SMILES): C[C@]12C[C@H](c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccccc1
InChIKey: QAJXXFBIGIATMT-BYCPBFBASA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
Measurement: Ki = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 624.76, ALogP 8.11, HBA 3, HBD 1, PSA 54.37, QED 0.23
Compound (SMILES): C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(OCC)OCC)cc3)C[C@@]12C
InChIKey: NVKFRYWNCLQAGR-YNRSWHRWSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
Measurement: Ki = 56.3 nM (pChEMBL 7.25)
Descriptors: MW 536.65, ALogP 7.19, HBA 5, HBD 0, PSA 61.83, QED 0.28
Compound (SMILES): C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(O)OCC)cc3)C[C@@]12C
InChIKey: JAKSSRUUMBEEAC-ONBAZCQBSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
Measurement: Ki > 3000 nM (pChEMBL 5.5229997634887695)
Descriptors: MW 508.6, ALogP 6.15, HBA 4, HBD 1, PSA 72.83, QED 0.39
Compound (SMILES): C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(C)(=O)OCC)cc3)C[C@@]12C
InChIKey: LWYLVQVGWUQBSI-IDAMKAECSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
Measurement: Ki = 59.8 nM (pChEMBL 7.21999979019165)
Descriptors: MW 506.62, ALogP 6.87, HBA 4, HBD 0, PSA 52.6, QED 0.33
Compound (SMILES): C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(C)(=O)O)cc3)C[C@@]12C
InChIKey: USFFLHDSLPEFIH-QYQUYBGJSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
Measurement: Ki > 3000 nM (pChEMBL 5.5229997634887695)
Descriptors: MW 478.57, ALogP 5.83, HBA 3, HBD 1, PSA 63.6, QED 0.43
Compound (SMILES): Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: SFCBIFOAGRZJNX-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 335.37, ALogP 3.08, HBA 6, HBD 4, PSA 113.16, QED 0.57
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3cccc(O)c3)n2)c1
InChIKey: PORARHJSZZARST-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 321.34, ALogP 2.77, HBA 6, HBD 4, PSA 113.16, QED 0.57
Compound (SMILES): Cc1cc(O)cc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1
InChIKey: RNEIELOADGLKQA-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 335.37, ALogP 3.08, HBA 6, HBD 4, PSA 113.16, QED 0.57
Compound (SMILES): Cc1ccc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)cc1O
InChIKey: PKAORYXTBFAULF-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 335.37, ALogP 3.08, HBA 6, HBD 4, PSA 113.16, QED 0.57
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3cc(O)ccc3Br)n2)c1
InChIKey: RQCALQIWVOZDDF-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 400.24, ALogP 3.53, HBA 6, HBD 4, PSA 113.16, QED 0.52
Compound (SMILES): CC(C)c1ccc(O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: HISBJLBMPIBCDT-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 880 nM (pChEMBL 6.059999942779541)
Descriptors: MW 363.42, ALogP 3.89, HBA 6, HBD 4, PSA 113.16, QED 0.53
Compound (SMILES): Cc1ccccc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: ZUJLZMHZCZZHLN-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 89 nM (pChEMBL 7.050000190734863)
Descriptors: MW 319.37, ALogP 3.37, HBA 5, HBD 3, PSA 92.93, QED 0.67
Compound (SMILES): Cc1cc(O)ccc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: BCMHPRWXYIKMJJ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 335.37, ALogP 3.08, HBA 6, HBD 4, PSA 113.16, QED 0.53
Compound (SMILES): Cc1cccc(O)c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: JUDHVHACWPERTL-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 335.37, ALogP 3.08, HBA 6, HBD 4, PSA 113.16, QED 0.53
Compound (SMILES): Cc1ccc(F)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: QUHRPPOZZXVLSG-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 337.36, ALogP 3.51, HBA 5, HBD 3, PSA 92.93, QED 0.66
Compound (SMILES): Cc1ccc(Cl)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: UJEWVYVKAAISMF-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 353.81, ALogP 4.02, HBA 5, HBD 3, PSA 92.93, QED 0.64
Compound (SMILES): COc1ccc(C)c(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1
InChIKey: BOAIVMCZTNFADH-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 86 nM (pChEMBL 7.070000171661377)
Descriptors: MW 349.39, ALogP 3.38, HBA 6, HBD 3, PSA 102.16, QED 0.63
Compound (SMILES): Cc1ccc(N)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: GMGBTWINWCTBKZ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 97 nM (pChEMBL 7.010000228881836)
Descriptors: MW 334.38, ALogP 2.95, HBA 6, HBD 4, PSA 118.95, QED 0.53
Compound (SMILES): Cc1ccc(C(N)=O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: RJFKMWMYHHXZDG-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 362.39, ALogP 2.47, HBA 6, HBD 4, PSA 136.02, QED 0.53
Compound (SMILES): Cc1ccc(C(=O)N(C)C)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: QDJWUVVMRMGMNL-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 9300 nM (pChEMBL 5.03000020980835)
Descriptors: MW 390.45, ALogP 3.07, HBA 6, HBD 3, PSA 113.24, QED 0.6
Compound (SMILES): Cc1ccc(NS(C)(=O)=O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: QTHIVEIOENULRA-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 7700 nM (pChEMBL 5.110000133514404)
Descriptors: MW 412.48, ALogP 2.74, HBA 7, HBD 4, PSA 139.1, QED 0.47
Compound (SMILES): Cc1ccc(CN)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: PUICRHPFLMHXCN-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 348.41, ALogP 2.83, HBA 6, HBD 4, PSA 118.95, QED 0.54
Compound (SMILES): COc1cccc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1
InChIKey: LSZKBMPGCQYVIF-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 335.37, ALogP 3.07, HBA 6, HBD 3, PSA 102.16, QED 0.64
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3cccc(F)c3)n2)c1
InChIKey: QEAKQZWSKOMZSQ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 3300 nM (pChEMBL 5.480000019073486)
Descriptors: MW 323.33, ALogP 3.2, HBA 5, HBD 3, PSA 92.93, QED 0.67
Compound (SMILES): CC(=O)N(C)c1cccc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1
InChIKey: HFHXHDRXXOKQKC-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 376.42, ALogP 3.05, HBA 6, HBD 3, PSA 113.24, QED 0.61
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3ccc(F)cc3F)n2)c1
InChIKey: SFUVUGMURPDTKR-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 341.32, ALogP 3.34, HBA 5, HBD 3, PSA 92.93, QED 0.66
Compound (SMILES): Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1
InChIKey: LKLIRPMEYRVLFV-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 8.5 nM (pChEMBL 8.069999694824219)
Descriptors: MW 371.42, ALogP 2.63, HBA 7, HBD 4, PSA 130.23, QED 0.54
Compound (SMILES): COc1ccc(C)c(Nc2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)c1
InChIKey: DIRLKLXNSLRQFM-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 385.45, ALogP 2.93, HBA 7, HBD 3, PSA 119.23, QED 0.6
Compound (SMILES): NS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc(F)cc3F)n2)c1
InChIKey: JYOWTZHCFGOHFU-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 377.38, ALogP 2.89, HBA 6, HBD 3, PSA 110, QED 0.63
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3ccc4ncsc4c3)n2)c1
InChIKey: RPVNTDKGWIGHDN-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 362.42, ALogP 3.67, HBA 7, HBD 3, PSA 105.82, QED 0.5
Compound (SMILES): Cn1cnc2ccc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)cc21
InChIKey: JAFFJWQQYUBCMN-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 16000 nM (pChEMBL 4.800000190734863)
Descriptors: MW 359.39, ALogP 2.95, HBA 7, HBD 3, PSA 110.75, QED 0.51
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3ccc4[nH]ncc4c3)n2)c1
InChIKey: QVGRISFHWIHDLD-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 345.37, ALogP 2.94, HBA 6, HBD 4, PSA 121.61, QED 0.44
Compound (SMILES): Cn1cnc2cc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)ccc21
InChIKey: DKRWNOCNKJWJED-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 359.39, ALogP 2.95, HBA 7, HBD 3, PSA 110.75, QED 0.51
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3ccc4nn[nH]c4c3)n2)c1
InChIKey: XLAULLDWFHUVHP-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 4400 nM (pChEMBL 5.360000133514404)
Descriptors: MW 346.35, ALogP 2.33, HBA 7, HBD 4, PSA 134.5, QED 0.44
Compound (SMILES): Cn1ncc2ccc(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)cc21
InChIKey: XYQHFANSFNCIJR-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 8200 nM (pChEMBL 5.090000152587891)
Descriptors: MW 359.39, ALogP 2.95, HBA 7, HBD 3, PSA 110.75, QED 0.51
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3cccc4ncccc34)n2)c1
InChIKey: MODRKXWTPQZUGE-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 560 nM (pChEMBL 6.25)
Descriptors: MW 356.39, ALogP 3.61, HBA 6, HBD 3, PSA 105.82, QED 0.5
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3cccc4nn[nH]c34)n2)c1
InChIKey: FBXHFWGLHXNVMO-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 346.35, ALogP 2.33, HBA 7, HBD 4, PSA 134.5, QED 0.44
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3cccc4cn[nH]c34)n2)c1
InChIKey: CXYJGBKNUXJXKD-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 345.37, ALogP 2.94, HBA 6, HBD 4, PSA 121.61, QED 0.44
Compound (SMILES): Cc1nc2c(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)cccc2[nH]1
InChIKey: VTCVMMLHBNVKSR-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 5600 nM (pChEMBL 5.25)
Descriptors: MW 359.39, ALogP 3.25, HBA 6, HBD 4, PSA 121.61, QED 0.43
Compound (SMILES): NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
InChIKey: NQHLFCVNEBJHOT-UHFFFAOYSA-N
Target: Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q99640
Assay: Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl})-amino-2-methyl-pyrimid-6-yl)piperazinyl]-ethyl]thiourea binding to human PKMYT1 kinase doamin expressed in Escherichia coli BL21 after 120 mins by fluorescence polarization asay
Measurement: Ki = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 345.37, ALogP 2.94, HBA 6, HBD 4, PSA 121.61, QED 0.44
Compound (SMILES): Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: ADCQRIVAZWFZCZ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 359.39, ALogP 3.25, HBA 6, HBD 4, PSA 121.61, QED 0.43
Compound (SMILES): Cc1cc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c2cn[nH]c2c1
InChIKey: CBSBCEBWZIDXNQ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 520 nM (pChEMBL 6.28000020980835)
Descriptors: MW 359.39, ALogP 3.25, HBA 6, HBD 4, PSA 121.61, QED 0.43
Compound (SMILES): Cc1ccc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c2cn[nH]c12
InChIKey: TZDJCGKDXODSID-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 55 nM (pChEMBL 7.260000228881836)
Descriptors: MW 359.39, ALogP 3.25, HBA 6, HBD 4, PSA 121.61, QED 0.43
Compound (SMILES): Cn1ncc2c(Nc3ccnc(Nc4cccc(C(N)=O)c4)n3)cccc21
InChIKey: AVHAUGKPDVOAJG-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 359.39, ALogP 2.95, HBA 7, HBD 3, PSA 110.75, QED 0.51
Compound (SMILES): Cc1ccc2c(cnn2C)c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIKey: ZLWQZVBUIQXGBB-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 2800 nM (pChEMBL 5.550000190734863)
Descriptors: MW 373.42, ALogP 3.26, HBA 7, HBD 3, PSA 110.75, QED 0.5
Compound (SMILES): NS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
InChIKey: KVSWEQSTPCJTSJ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 381.42, ALogP 2.49, HBA 7, HBD 4, PSA 138.68, QED 0.42
Compound (SMILES): NC(=O)c1cc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)ccc1Oc1ccccc1
InChIKey: KBUKDBJYKXZIHS-KTWJTVMHSA-N
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WGR1
Assay: Inhibition of Mycobacterium tuberculosis InhA
Measurement: IC50 = 27000 nM (pChEMBL 4.570000171661377)
Descriptors: MW 754.54, ALogP 0.03, HBA 18, HBD 8, PSA 323.61, QED 0.08
Compound (SMILES): Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1
InChIKey: ZKWWEOIHGRQYDB-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase LCK (SINGLE PROTEIN), Mus musculus
UniProt: P06240
Assay: Inhibition of murine Lck by TR-FRET assay
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 395.45, ALogP 2.8, HBA 7, HBD 4, PSA 138.68, QED 0.41
Compound (SMILES): O=C(OC[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIKey: HKDPOFYBYXNETQ-NOZRDPDXSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49810
Assay: Inhibition of gamma secretase mediated amyloid beta-40 production
Measurement: IC50 = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 524.13, ALogP 4.75, HBA 5, HBD 0, PSA 70.16, QED 0.54
Compound (SMILES): CC(C)[C@@H]1CCC[C@H](COC(=O)N2CCC(N3CCCCC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: IDOAKQMETXZJBC-NOZRDPDXSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49810
Assay: Inhibition of gamma secretase mediated amyloid beta-40 production
Measurement: IC50 = 18.5 nM (pChEMBL 7.730000019073486)
Descriptors: MW 526.14, ALogP 4.99, HBA 5, HBD 0, PSA 70.16, QED 0.52
Compound (SMILES): CC[C@@H]1C[C@H](OC)C[C@H](COC(=O)N2CCC(N3CCCCC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: YFVOIZOCKPSNFU-JRFVFWCSSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49810
Assay: Inhibition of gamma secretase mediated amyloid beta-40 production
Measurement: IC50 = 783 nM (pChEMBL 6.110000133514404)
Descriptors: MW 542.14, ALogP 4.37, HBA 6, HBD 0, PSA 79.39, QED 0.51
Compound (SMILES): CC[C@@H]1C[C@@H](OC)C[C@H](COC(=O)N2CCC(N3CCCCC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: YFVOIZOCKPSNFU-GMKZXUHWSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49810
Assay: Inhibition of gamma secretase mediated amyloid beta-40 production
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 542.14, ALogP 4.37, HBA 6, HBD 0, PSA 79.39, QED 0.51
Compound (SMILES): CCCN(CCC)c1cc(C(F)(F)F)c(C#N)cn1
InChIKey: NWPDUOPVSFEYPQ-UHFFFAOYSA-N
Target: Androgen receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P10275
Assay: Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells
Measurement: IC50 = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 271.29, ALogP 3.6, HBA 3, HBD 0, PSA 39.92, QED 0.82