lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1
InChIKey: XPTHBBKLXZTNTM-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30542
Assay: Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter
Measurement: Ki = 1188 nM (pChEMBL 5.920000076293945)
Descriptors: MW 472.51, ALogP 2.45, HBA 10, HBD 2, PSA 131.3, QED 0.4
Compound (SMILES): Nc1nc(Cc2ccsc2)nc2c1nnn2CC1CCCCO1
InChIKey: GSXGVQAFYRIVCG-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 254 nM (pChEMBL 6.590000152587891)
Descriptors: MW 330.42, ALogP 2.02, HBA 8, HBD 1, PSA 91.74, QED 0.79
Compound (SMILES): Nc1nc(CC2CC2)nc2c1nnn2CC1CCCCO1
InChIKey: MLTJKBZTDDZGAI-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 319 nM (pChEMBL 6.5)
Descriptors: MW 288.36, ALogP 1.33, HBA 7, HBD 1, PSA 91.74, QED 0.91
Compound (SMILES): CCCCc1nc(N)c2nnn(CC3CCCCO3)c2n1
InChIKey: GACNRKWBBUMMOU-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 228 nM (pChEMBL 6.639999866485596)
Descriptors: MW 290.37, ALogP 1.72, HBA 7, HBD 1, PSA 91.74, QED 0.9
Compound (SMILES): CC(C)CCc1nc(N)c2nnn(CC3CCCCO3)c2n1
InChIKey: HYTXKGCTIGEWNU-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 72.7 nM (pChEMBL 7.139999866485596)
Descriptors: MW 304.4, ALogP 1.96, HBA 7, HBD 1, PSA 91.74, QED 0.91
Compound (SMILES): Nc1nc(Cc2ccccc2)nc2c1nnn2CC1CCCCO1
InChIKey: KSCRGBNIAQFFGZ-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 61.2 nM (pChEMBL 7.210000038146973)
Descriptors: MW 324.39, ALogP 1.96, HBA 7, HBD 1, PSA 91.74, QED 0.79
Compound (SMILES): CC(C)Cc1nc(N)c2nnn(CC3CCCCO3)c2n1
InChIKey: GWILAIQOLBYZOK-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 186 nM (pChEMBL 6.730000019073486)
Descriptors: MW 290.37, ALogP 1.57, HBA 7, HBD 1, PSA 91.74, QED 0.92
Compound (SMILES): Nc1nc(CSc2ccccc2)nc2c1nnn2CC1CCCCO1
InChIKey: KQMKVTQGWRJHQS-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 12.1 nM (pChEMBL 7.920000076293945)
Descriptors: MW 356.45, ALogP 2.66, HBA 8, HBD 1, PSA 91.74, QED 0.7
Compound (SMILES): CSCc1nc(N)c2nnn(CC3CCCCO3)c2n1
InChIKey: KYMDFYVYERLPEP-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 177 nM (pChEMBL 6.75)
Descriptors: MW 294.38, ALogP 1.24, HBA 8, HBD 1, PSA 91.74, QED 0.91
Compound (SMILES): CC(=O)OCc1nc(N)c2nnn(CC3CCCCO3)c2n1
InChIKey: HLSZERMYGYJVMS-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 125 nM (pChEMBL 6.900000095367432)
Descriptors: MW 306.33, ALogP 0.44, HBA 9, HBD 1, PSA 118.04, QED 0.81
Compound (SMILES): Nc1nc(CO)nc2c1nnn2CC1CCCCO1
InChIKey: FLGPDDLJAZVJIT-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 773 nM (pChEMBL 6.110000133514404)
Descriptors: MW 264.29, ALogP -0.14, HBA 8, HBD 2, PSA 111.97, QED 0.79
Compound (SMILES): Nc1nc(Cn2ccnc2)nc2c1nnn2CC1CCCCO1
InChIKey: LJDJCOAWTJYWDV-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 516 nM (pChEMBL 6.289999961853027)
Descriptors: MW 314.35, ALogP 0.62, HBA 9, HBD 1, PSA 109.56, QED 0.75
Compound (SMILES): Nc1nc(CC(=O)O)nc2c1nnn2CC1CCCCO1
InChIKey: RXYVSDPSAZRHLX-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 77.4 nM (pChEMBL 7.110000133514404)
Descriptors: MW 292.3, ALogP 0, HBA 8, HBD 2, PSA 129.04, QED 0.81
Compound (SMILES): Cc1nc(-c2nc(N)c3nnn(CC4CCCCO4)c3n2)cs1
InChIKey: QXXVYDZDDGYKQA-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 13.1 nM (pChEMBL 7.880000114440918)
Descriptors: MW 331.4, ALogP 1.8, HBA 9, HBD 1, PSA 104.63, QED 0.78
Compound (SMILES): Cc1cc(-c2nc(N)c3nnn(CC4CCCCO4)c3n2)no1
InChIKey: AVRGVORYSNSQFM-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 388 nM (pChEMBL 6.409999847412109)
Descriptors: MW 315.34, ALogP 1.34, HBA 9, HBD 1, PSA 117.77, QED 0.77
Compound (SMILES): N#CCc1nc(N)c2nnn(CC3CCCCO3)c2n1
InChIKey: ZAKGHZLWXQJDRQ-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 182 nM (pChEMBL 6.739999771118164)
Descriptors: MW 273.3, ALogP 0.44, HBA 8, HBD 1, PSA 115.53, QED 0.86
Compound (SMILES): NC(=O)Cc1nc(N)c2nnn(CC3CCCCO3)c2n1
InChIKey: NSDNRFBLEOIMPW-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 1110 nM (pChEMBL 5.960000038146973)
Descriptors: MW 291.31, ALogP -0.6, HBA 8, HBD 2, PSA 134.83, QED 0.77
Compound (SMILES): Nc1nc(C2CCCO2)nc2c1nnn2CC1CCCCO1
InChIKey: BSMDUDOGFCDDMN-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 304.35, ALogP 1.22, HBA 8, HBD 1, PSA 100.97, QED 0.91
Compound (SMILES): Nc1nc(COc2cccc(F)c2)nc2c1nnn2CC1CCCO1
InChIKey: CLHJTVWJSKDZPQ-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 17.1 nM (pChEMBL 7.769999980926514)
Descriptors: MW 344.35, ALogP 1.7, HBA 8, HBD 1, PSA 100.97, QED 0.75
Compound (SMILES): COCc1nc(N)c2nnn(C[C@H]3CCCO3)c2n1
InChIKey: UTPPPTLCZDKYID-SSDOTTSWSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 281 nM (pChEMBL 6.550000190734863)
Descriptors: MW 264.29, ALogP 0.13, HBA 8, HBD 1, PSA 100.97, QED 0.84
Compound (SMILES): Nc1nc(C2CC2)nc2c1nnn2CC1OCCc2ccccc21
InChIKey: WXDJSDQPUGQRLB-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 3.63 nM (pChEMBL 8.4399995803833)
Descriptors: MW 322.37, ALogP 1.99, HBA 7, HBD 1, PSA 91.74, QED 0.79
Compound (SMILES): Cn1cc(CCn2nnc3c(N)nc(C4CC4)nc32)cn1
InChIKey: CEWAOXZCZRNAPF-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 551 nM (pChEMBL 6.260000228881836)
Descriptors: MW 284.33, ALogP 0.66, HBA 8, HBD 1, PSA 100.33, QED 0.75
Compound (SMILES): Cc1ccn2cc(Cn3nnc4c(N)nc(C5CC5)nc43)nc2c1
InChIKey: ZXAIMPMKQNLKIV-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 25.5 nM (pChEMBL 7.590000152587891)
Descriptors: MW 320.36, ALogP 1.69, HBA 8, HBD 1, PSA 99.81, QED 0.62
Compound (SMILES): Nc1nc(C2CC2)nc2c1nnn2Cc1nnc(-c2ccccc2)[nH]1
InChIKey: RWJPVFJACRJAFK-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 55.1 nM (pChEMBL 7.260000228881836)
Descriptors: MW 333.36, ALogP 1.51, HBA 8, HBD 2, PSA 124.08, QED 0.58
Compound (SMILES): Cc1ncsc1CCn1nnc2c(N)nc(C3CC3)nc21
InChIKey: GILBJDNDXYRETN-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 79.4 nM (pChEMBL 7.099999904632568)
Descriptors: MW 301.38, ALogP 1.69, HBA 8, HBD 1, PSA 95.4, QED 0.79
Compound (SMILES): Nc1nc(C2CC2)nc2c1nnn2Cc1ccc2c(c1)CCO2
InChIKey: AVFBPEQFYFCOSS-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 17.1 nM (pChEMBL 7.769999980926514)
Descriptors: MW 308.35, ALogP 1.66, HBA 7, HBD 1, PSA 91.74, QED 0.79
Compound (SMILES): CC(c1ccc2[nH]ccc2c1)n1nnc2c(N)nc(C3CC3)nc21
InChIKey: QABRXFRQVAFEGX-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 31.7 nM (pChEMBL 7.5)
Descriptors: MW 319.37, ALogP 2.77, HBA 6, HBD 2, PSA 98.3, QED 0.6
Compound (SMILES): Nc1nc(C2CC2)nc2c1nnn2Cc1cnn(-c2ccccc2)n1
InChIKey: FEPSZRUGGUYXCP-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 52.4 nM (pChEMBL 7.28000020980835)
Descriptors: MW 333.36, ALogP 1.31, HBA 9, HBD 1, PSA 113.22, QED 0.6
Compound (SMILES): Nc1nc(C2CC2)nc2c1nnn2Cc1nc2ccccc2c(=O)[nH]1
InChIKey: LYLKHIJZPWLBIA-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 43.9 nM (pChEMBL 7.360000133514404)
Descriptors: MW 334.34, ALogP 0.97, HBA 8, HBD 2, PSA 128.26, QED 0.57
Compound (SMILES): C[C@@H](C1CCCCC1)n1nnc2c(N)nc(C3CC3)nc21
InChIKey: KOZQQSVTCFPIOX-VIFPVBQESA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 74.6 nM (pChEMBL 7.130000114440918)
Descriptors: MW 286.38, ALogP 2.82, HBA 6, HBD 1, PSA 82.51, QED 0.94
Compound (SMILES): Nc1nc(C2CC2)nc2c1nnn2CCSCc1ccco1
InChIKey: RMBVOUOEBSVOHH-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 136 nM (pChEMBL 6.869999885559082)
Descriptors: MW 316.39, ALogP 2.21, HBA 8, HBD 1, PSA 95.65, QED 0.7
Compound (SMILES): CN1Cc2ccccc2CC1Cn1nnc2c(N)nc(C3CC3)nc21
InChIKey: QHMVRLUDLVYFIO-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 31.5 nM (pChEMBL 7.5)
Descriptors: MW 335.42, ALogP 1.74, HBA 7, HBD 1, PSA 85.75, QED 0.78
Compound (SMILES): Cc1cccc(CC(C)n2nnc3c(N)nc(C4CC4)nc32)n1
InChIKey: SXTJZHMGHBEGKL-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 48.4 nM (pChEMBL 7.320000171661377)
Descriptors: MW 309.38, ALogP 2.19, HBA 7, HBD 1, PSA 95.4, QED 0.79
Compound (SMILES): Cc1cn2cc(Cn3nnc4c(N)nc(C5CC5)nc43)nc2s1
InChIKey: OOHZPKNPQSNQRC-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 38.8 nM (pChEMBL 7.409999847412109)
Descriptors: MW 326.39, ALogP 1.75, HBA 9, HBD 1, PSA 99.81, QED 0.62
Compound (SMILES): Cc1ccn2cc(Cn3nnc4c(N)nc(C5CC5)nc43)nc2n1
InChIKey: KXAHQWGAPXHFGG-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 458 nM (pChEMBL 6.340000152587891)
Descriptors: MW 321.35, ALogP 1.08, HBA 9, HBD 1, PSA 112.7, QED 0.6
Compound (SMILES): Nc1nc(C2CC2)nc2c1nnn2Cc1ccc(C(F)(F)F)cc1
InChIKey: RBTRXPAPDCTPQL-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 78.4 nM (pChEMBL 7.110000133514404)
Descriptors: MW 334.31, ALogP 2.75, HBA 6, HBD 1, PSA 82.51, QED 0.8
Compound (SMILES): CCCCN1CC(Cn2nnc3c(N)nc(C4CC4)nc32)OCC1=O
InChIKey: TVDDTKOBIXXCAE-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 455 nM (pChEMBL 6.340000152587891)
Descriptors: MW 345.41, ALogP 0.71, HBA 8, HBD 1, PSA 112.05, QED 0.82
Compound (SMILES): Nc1nc(C2CC2)nc2c1nnn2CC1(c2ccccc2)CCOCC1
InChIKey: ATIIVXYXMDMAAU-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 225 nM (pChEMBL 6.650000095367432)
Descriptors: MW 350.43, ALogP 2.43, HBA 7, HBD 1, PSA 91.74, QED 0.78
Compound (SMILES): Nc1nc(C2CC2)nc2c1nnn2Cc1ccc2c(c1)OCCO2
InChIKey: BGRAWOOHWFEWJN-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 17.7 nM (pChEMBL 7.75)
Descriptors: MW 324.34, ALogP 1.5, HBA 8, HBD 1, PSA 100.97, QED 0.78
Compound (SMILES): CC(C)(C)OC(=O)N1CCCCC1Cn1nnc2c(N)nc(C3CC3)nc21
InChIKey: RQMGFEWTJZBMHA-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 21.4 nM (pChEMBL 7.670000076293945)
Descriptors: MW 373.46, ALogP 2.47, HBA 8, HBD 1, PSA 112.05, QED 0.88
Compound (SMILES): Cc1cccn2cc(Cn3nnc4c(N)nc(C5CC5)nc43)nc12
InChIKey: XXKAWKYKDBXLIE-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 53.8 nM (pChEMBL 7.269999980926514)
Descriptors: MW 320.36, ALogP 1.69, HBA 8, HBD 1, PSA 99.81, QED 0.62
Compound (SMILES): CC(C)(C)c1cc(Cn2nnc3c(N)nc(C4CC4)nc32)n[nH]1
InChIKey: TXWSWEXDBVALFR-UHFFFAOYSA-N
Target: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B (SINGLE PROTEIN), Homo sapiens
UniProt: O95263
Assay: Inhibition of PDE8B expressed in Sf9 insect cells
Measurement: IC50 = 6.79 nM (pChEMBL 8.170000076293945)
Descriptors: MW 312.38, ALogP 1.75, HBA 7, HBD 2, PSA 111.19, QED 0.76
Compound (SMILES): N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIKey: GHDIYQHGVKVLJX-RTBURBONSA-N
Target: Cathepsin B (SINGLE PROTEIN), Homo sapiens
UniProt: P07858
Assay: Inhibition of human recombinant cathepsin-B using Z-Arg-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay
Measurement: IC50 = 1090 nM (pChEMBL 5.960000038146973)
Descriptors: MW 398.48, ALogP 2.45, HBA 4, HBD 1, PSA 76.44, QED 0.85
Compound (SMILES): N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4ccccc4s3)CC2)CC1
InChIKey: ZZFJAPGUVYMXSJ-IAGOWNOFSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 437.57, ALogP 2.92, HBA 6, HBD 1, PSA 89.33, QED 0.79
Compound (SMILES): N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nccs3)CC2)CC1
InChIKey: OCPZAFIMVGSBSN-HUUCEWRRSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 387.51, ALogP 1.77, HBA 6, HBD 1, PSA 89.33, QED 0.85
Compound (SMILES): Cc1nc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)sc1C
InChIKey: NQRGNZATXBCCQO-IAGOWNOFSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 415.56, ALogP 2.39, HBA 6, HBD 1, PSA 89.33, QED 0.82
Compound (SMILES): CCc1csc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)n1
InChIKey: LABRGLYROLKYDZ-IAGOWNOFSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 415.56, ALogP 2.33, HBA 6, HBD 1, PSA 89.33, QED 0.8
Compound (SMILES): N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc(C4CC4)cs3)CC2)CC1
InChIKey: DHJLVNDEWZLWNB-IAGOWNOFSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 427.57, ALogP 2.65, HBA 6, HBD 1, PSA 89.33, QED 0.78
Compound (SMILES): CC(C)(C)c1csc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)n1
InChIKey: JRNCUKITPWCDPD-IAGOWNOFSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 443.62, ALogP 3.07, HBA 6, HBD 1, PSA 89.33, QED 0.77
Compound (SMILES): N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)CC1
InChIKey: QVMBVVATXDOAND-ZIAGYGMSSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 455.51, ALogP 2.79, HBA 6, HBD 1, PSA 89.33, QED 0.75
Compound (SMILES): Cc1sc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)nc1C(F)(F)F
InChIKey: LQZGVZTWZJQLPS-HUUCEWRRSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 469.53, ALogP 3.1, HBA 6, HBD 1, PSA 89.33, QED 0.73
Compound (SMILES): N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc(C(F)(F)F)c(Cl)s3)CC2)CC1
InChIKey: DFOVIXAHZKMWSO-CHWSQXEVSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 489.95, ALogP 3.44, HBA 6, HBD 1, PSA 89.33, QED 0.7
Compound (SMILES): N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)CC1
InChIKey: NEWCBLDMKSRBBC-WOJBJXKFSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 463.61, ALogP 3.44, HBA 6, HBD 1, PSA 89.33, QED 0.73
Compound (SMILES): N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)s1
InChIKey: OQOOOJVROUBAQY-HZPDHXFCSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 412.52, ALogP 1.64, HBA 7, HBD 1, PSA 113.12, QED 0.8
Compound (SMILES): CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)CC3)sc2c1
InChIKey: MSHULPIKNRKAQH-QZTJIDSGSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 515.66, ALogP 2.33, HBA 8, HBD 1, PSA 123.47, QED 0.65
Compound (SMILES): CC(C)(C#N)c1cnc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)s1
InChIKey: GVFZKOCFOOBUQV-IAGOWNOFSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 454.6, ALogP 2.57, HBA 7, HBD 1, PSA 113.12, QED 0.73
Compound (SMILES): N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4cccnc4s3)CC2)CC1
InChIKey: WIKIUJMLESFHCO-HZPDHXFCSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 438.56, ALogP 2.32, HBA 7, HBD 1, PSA 102.22, QED 0.79
Compound (SMILES): N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4ccncc4s3)CC2)CC1
InChIKey: PKKSDDOTWDEHSA-HZPDHXFCSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 438.56, ALogP 2.32, HBA 7, HBD 1, PSA 102.22, QED 0.79
Compound (SMILES): N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4cnccc4s3)CC2)CC1
InChIKey: VSLVCMQLWKKHKL-HZPDHXFCSA-N
Target: Cathepsin K (SINGLE PROTEIN), Homo sapiens
UniProt: P43235
Assay: Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
Measurement: IC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 438.56, ALogP 2.32, HBA 7, HBD 1, PSA 102.22, QED 0.79
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc(C)c3)n2)cc1
InChIKey: GHFNEDCFRFXUPC-OAQYLSRUSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 890 nM (pChEMBL 6.050000190734863)
Descriptors: MW 471.6, ALogP 4.31, HBA 6, HBD 1, PSA 88.6, QED 0.58
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIKey: OXQNLLVUVDAEHC-OAQYLSRUSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 471.6, ALogP 4.31, HBA 6, HBD 1, PSA 88.6, QED 0.58
Compound (SMILES): CCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1
InChIKey: XJYFAQRRMUXSRE-HSZRJFAPSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 499.66, ALogP 4.95, HBA 6, HBD 1, PSA 88.6, QED 0.47
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1
InChIKey: ZRVBBUATVKPQGK-HSZRJFAPSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 2590 nM (pChEMBL 5.590000152587891)
Descriptors: MW 499.66, ALogP 5.12, HBA 6, HBD 1, PSA 88.6, QED 0.49
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)cc1
InChIKey: OQLFDDLSQGEIBA-HSZRJFAPSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 513.69, ALogP 5.3, HBA 6, HBD 1, PSA 88.6, QED 0.48
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3C(F)(F)F)n2)cc1
InChIKey: UOABDKNXSCKGLJ-LJQANCHMSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 4740 nM (pChEMBL 5.320000171661377)
Descriptors: MW 525.57, ALogP 5.02, HBA 6, HBD 1, PSA 88.6, QED 0.49
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc(C(F)(F)F)c3)n2)cc1
InChIKey: BWBXOBFPELPHEA-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 525.57, ALogP 5.02, HBA 6, HBD 1, PSA 88.6, QED 0.49
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)cc1
InChIKey: OYZFDCRKHSVNLX-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 1710 nM (pChEMBL 5.769999980926514)
Descriptors: MW 525.57, ALogP 5.02, HBA 6, HBD 1, PSA 88.6, QED 0.49
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3OC)n2)cc1
InChIKey: YIFQKULQCOOZBS-LJQANCHMSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 1780 nM (pChEMBL 5.75)
Descriptors: MW 487.6, ALogP 4.01, HBA 7, HBD 1, PSA 97.83, QED 0.54
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc(OC)c3)n2)cc1
InChIKey: IWCFXTOKWYWHGJ-OAQYLSRUSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 810 nM (pChEMBL 6.090000152587891)
Descriptors: MW 487.6, ALogP 4.01, HBA 7, HBD 1, PSA 97.83, QED 0.54
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc4c(c3)OCO4)n2)cc1
InChIKey: DBBOQJMMLCGLIJ-LJQANCHMSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 501.59, ALogP 3.73, HBA 8, HBD 1, PSA 107.06, QED 0.55
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3C#N)n2)cc1
InChIKey: YSTDPMOQUXAVIL-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 482.59, ALogP 3.87, HBA 7, HBD 1, PSA 112.39, QED 0.57
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc(C#N)c3)n2)cc1
InChIKey: MFCYHGFONMEMKY-OAQYLSRUSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 880 nM (pChEMBL 6.059999942779541)
Descriptors: MW 482.59, ALogP 3.87, HBA 7, HBD 1, PSA 112.39, QED 0.57
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C#N)cc3)n2)cc1
InChIKey: IUQJFYIXPYOHPS-OAQYLSRUSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 1630 nM (pChEMBL 5.789999961853027)
Descriptors: MW 482.59, ALogP 3.87, HBA 7, HBD 1, PSA 112.39, QED 0.57
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc(F)c3)n2)cc1
InChIKey: LGOFGFAWDWWMFQ-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 1160 nM (pChEMBL 5.940000057220459)
Descriptors: MW 475.57, ALogP 4.14, HBA 6, HBD 1, PSA 88.6, QED 0.58
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIKey: BQOBEPWVFRLATF-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 1030 nM (pChEMBL 5.989999771118164)
Descriptors: MW 475.57, ALogP 4.14, HBA 6, HBD 1, PSA 88.6, QED 0.58
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3Cl)n2)cc1
InChIKey: BRKBEIHVTHJZIV-LJQANCHMSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 730 nM (pChEMBL 6.139999866485596)
Descriptors: MW 492.02, ALogP 4.65, HBA 6, HBD 1, PSA 88.6, QED 0.54
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc(Cl)c3)n2)cc1
InChIKey: IPKMZSHOFPYGGZ-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 1410 nM (pChEMBL 5.849999904632568)
Descriptors: MW 492.02, ALogP 4.65, HBA 6, HBD 1, PSA 88.6, QED 0.54
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(Cl)cc3)n2)cc1
InChIKey: DEOZIKXLNMNPAG-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 420 nM (pChEMBL 6.380000114440918)
Descriptors: MW 492.02, ALogP 4.65, HBA 6, HBD 1, PSA 88.6, QED 0.54
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc(Cl)c3Cl)n2)cc1
InChIKey: MCTYTYQVRWNKKQ-GOSISDBHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 526.47, ALogP 5.31, HBA 6, HBD 1, PSA 88.6, QED 0.47
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3Cl)n2)cc1
InChIKey: ZIYSRDSGXNYWPE-LJQANCHMSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 510.01, ALogP 4.79, HBA 6, HBD 1, PSA 88.6, QED 0.52
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cc(Cl)ccc3F)n2)cc1
InChIKey: KTRRTYCMMYVRAA-LJQANCHMSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 510.01, ALogP 4.79, HBA 6, HBD 1, PSA 88.6, QED 0.52
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc(F)c3C)n2)cc1
InChIKey: WHOPQTXSWWLKRU-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 489.59, ALogP 4.45, HBA 6, HBD 1, PSA 88.6, QED 0.55
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)Cc3ccccc3Cl)n2)cc1
InChIKey: KPLDONHGEUOGJI-OAQYLSRUSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 506.05, ALogP 4.8, HBA 6, HBD 1, PSA 88.6, QED 0.5
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1
InChIKey: JPZRKGHLOXQCMD-OAQYLSRUSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 506.05, ALogP 4.8, HBA 6, HBD 1, PSA 88.6, QED 0.5
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3nccc4ccccc34)n2)cc1
InChIKey: NTOCWVFCKNJPJO-JOCHJYFZSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 7970 nM (pChEMBL 5.099999904632568)
Descriptors: MW 508.63, ALogP 4.55, HBA 7, HBD 1, PSA 101.49, QED 0.41
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccnc3)n2)cc1
InChIKey: SDELEDYMMRUSJK-LJQANCHMSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 1360 nM (pChEMBL 5.869999885559082)
Descriptors: MW 458.57, ALogP 3.4, HBA 7, HBD 1, PSA 101.49, QED 0.61
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cn(C)cn3)n2)cc1
InChIKey: SKGWPMOJLSALPR-QGZVFWFLSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 461.57, ALogP 2.73, HBA 8, HBD 1, PSA 106.42, QED 0.6
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccnc3C)n2)cc1
InChIKey: IEUGVYBSSQJRAK-LJQANCHMSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 472.59, ALogP 3.7, HBA 7, HBD 1, PSA 101.49, QED 0.59
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3C(=O)c3cccc(F)c3)n2)cc1
InChIKey: RHADGVIDFAHDIJ-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 6130 nM (pChEMBL 5.210000038146973)
Descriptors: MW 439.51, ALogP 4.59, HBA 5, HBD 1, PSA 71.53, QED 0.63
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3C(=O)c3ccccc3)n2)cc1
InChIKey: CBTUUEQSTWLERG-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 8160 nM (pChEMBL 5.090000152587891)
Descriptors: MW 421.52, ALogP 4.45, HBA 5, HBD 1, PSA 71.53, QED 0.66
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3C(=O)c3ccccc3OC)n2)cc1
InChIKey: BLXBGGFWFCFTDM-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 451.55, ALogP 4.46, HBA 6, HBD 1, PSA 80.76, QED 0.6
Compound (SMILES): COc1ccc(-c2csc(NC(=O)C3CCCCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIKey: NPKOBKJPUACFER-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 485.63, ALogP 4.7, HBA 6, HBD 1, PSA 88.6, QED 0.55
Compound (SMILES): COc1ccc(-c2csc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIKey: VIGTXKQJJRKKOW-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 2860 nM (pChEMBL 5.539999961853027)
Descriptors: MW 457.58, ALogP 3.92, HBA 6, HBD 1, PSA 88.6, QED 0.61
Compound (SMILES): COc1ccc(-c2csc(NC(=O)C3CCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIKey: VLXGLYHQIPMJHK-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 443.55, ALogP 3.53, HBA 6, HBD 1, PSA 88.6, QED 0.63
Compound (SMILES): COc1ccc(-c2csc(NC(=O)C3COCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIKey: HCUSMCNNJXKDQT-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 4380 nM (pChEMBL 5.360000133514404)
Descriptors: MW 473.58, ALogP 3.16, HBA 7, HBD 1, PSA 97.83, QED 0.59
Compound (SMILES): COc1ccc(-c2csc(NC(=O)C3CSCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIKey: LCDJDIULAZKOHC-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 489.64, ALogP 3.87, HBA 7, HBD 1, PSA 88.6, QED 0.57
Compound (SMILES): COc1ccc(-c2csc(NC(=O)C3CNCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIKey: KOIHPOHJCCHBHO-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 472.59, ALogP 2.73, HBA 7, HBD 2, PSA 100.63, QED 0.57
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1
InChIKey: BSPQWRDXTRJYCU-SFHVURJKSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 471.6, ALogP 4.17, HBA 6, HBD 1, PSA 88.6, QED 0.58
Compound (SMILES): COc1ccc(-c2csc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1
InChIKey: BSPQWRDXTRJYCU-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 471.6, ALogP 4.17, HBA 6, HBD 1, PSA 88.6, QED 0.58
Compound (SMILES): COc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIKey: LXALJDUZPWJNTP-UHFFFAOYSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 431.54, ALogP 3.43, HBA 6, HBD 2, PSA 97.39, QED 0.57
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)(C)C)n2)cc1
InChIKey: UANFYVVHKDEOGE-FQEVSTJZSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 473.62, ALogP 4.46, HBA 6, HBD 2, PSA 97.39, QED 0.53
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)n2)cc1
InChIKey: NWDOZEFSUBNCRA-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 459.59, ALogP 4.07, HBA 6, HBD 2, PSA 97.39, QED 0.53
Compound (SMILES): COc1ccc(-c2csc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIKey: SLDWMTDVBWFVSC-CQSZACIVSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 = 12900 nM (pChEMBL 4.889999866485596)
Descriptors: MW 431.54, ALogP 3.43, HBA 6, HBD 2, PSA 97.39, QED 0.6
Compound (SMILES): Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1
InChIKey: ADSSVNAXCSTXMN-HSZRJFAPSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 483.66, ALogP 5.42, HBA 5, HBD 1, PSA 79.37, QED 0.51
Compound (SMILES): Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIKey: FRSADCNODXSJOA-HXUWFJFHSA-N
Target: Potassium voltage-gated channel subfamily KQT member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51787
Assay: Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 441.58, ALogP 4.3, HBA 5, HBD 1, PSA 79.37, QED 0.64