lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCc1c(C)sc2ncnc(N3CCC(COCCC4CCCN4C)CC3)c12
InChIKey: LBDIZRVNQSNAMU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 402.61, ALogP 4.28, HBA 6, HBD 0, PSA 41.49, QED 0.65
Compound (SMILES): CC(C)c1cc2c(N3CCC(COCCC4CCCCN4C)CC3)ncnc2s1
InChIKey: XGVSJGUVIVDCEK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 416.64, ALogP 4.92, HBA 6, HBD 0, PSA 41.49, QED 0.6
Compound (SMILES): FC1(F)CCN(CCOCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: HYVQPJKJTRALJQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 458.58, ALogP 4.93, HBA 6, HBD 0, PSA 41.49, QED 0.47
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(COCCN5CC6CC5CO6)CC4)c23)cc1
InChIKey: FFEGRFNATRCUQE-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 450.61, ALogP 4.06, HBA 7, HBD 0, PSA 50.72, QED 0.51
Compound (SMILES): O=C1CN(CCOCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CCN1
InChIKey: OIUAWKHKQSAVHO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 451.6, ALogP 3.02, HBA 7, HBD 1, PSA 70.59, QED 0.56
Compound (SMILES): NC(=O)C1CCN(CCOCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: CLYSPMDLMVJXHL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 465.62, ALogP 3.4, HBA 7, HBD 1, PSA 84.58, QED 0.51
Compound (SMILES): CC(=O)NC1CCN(CCOCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: WUQBAJKOFQHUHB-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 479.65, ALogP 3.8, HBA 7, HBD 1, PSA 70.59, QED 0.5
Compound (SMILES): NC(=O)C1CCCN1CCOCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: BASUABXUMPAUIH-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 465.62, ALogP 3.54, HBA 7, HBD 1, PSA 84.58, QED 0.51
Compound (SMILES): F[C@@H]1CCN(CCOCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: DYRMAJZAVVZVNB-HXUWFJFHSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 440.59, ALogP 4.64, HBA 6, HBD 0, PSA 41.49, QED 0.5
Compound (SMILES): F[C@H]1CCN(CCOCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: DYRMAJZAVVZVNB-FQEVSTJZSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 440.59, ALogP 4.64, HBA 6, HBD 0, PSA 41.49, QED 0.5
Compound (SMILES): CCc1c(C)sc2ncnc(N3CCC(COCCC4CCCCN4C)CC3)c12
InChIKey: HXLNLEAXZOBECM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 416.64, ALogP 4.67, HBA 6, HBD 0, PSA 41.49, QED 0.61
Compound (SMILES): CN1CCCC1CCOCC1CCN(c2ncnc3scc(-c4cccc(F)c4)c23)CC1
InChIKey: DXIYYMCNYDEDTP-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 454.62, ALogP 5.21, HBA 6, HBD 0, PSA 41.49, QED 0.46
Compound (SMILES): CN1CCCCC1CCOCC1CCN(c2ncnc3scc(-c4cccc(F)c4)c23)CC1
InChIKey: DGIWDCGOLBUAPU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 468.64, ALogP 5.6, HBA 6, HBD 0, PSA 41.49, QED 0.42
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CC5C(COCCN6CCCC6)C5C4)c23)cc1
InChIKey: KQZZFJQHRKMMKY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 420.58, ALogP 4.15, HBA 6, HBD 0, PSA 41.49, QED 0.54
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CC5C(COCCN6CCOCC6)C5C4)c23)cc1
InChIKey: XDCVPHGVHMXIQT-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 436.58, ALogP 3.39, HBA 7, HBD 0, PSA 50.72, QED 0.53
Compound (SMILES): CN1CCCC1CCOCC1C2CN(c3ncnc4scc(-c5ccccc5)c34)CC12
InChIKey: MGKOYHODGDXJEX-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 434.61, ALogP 4.54, HBA 6, HBD 0, PSA 41.49, QED 0.51
Compound (SMILES): F[C@H]1CCN(CCOCC2C3CN(c4ncnc5scc(-c6ccccc6)c45)CC23)C1
InChIKey: WUXNGNKVPHAHCJ-FKUUAESASA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 438.57, ALogP 4.1, HBA 6, HBD 0, PSA 41.49, QED 0.52
Compound (SMILES): F[C@@H]1CCN(CCOCC2C3CN(c4ncnc5scc(-c6ccccc6)c45)CC23)C1
InChIKey: WUXNGNKVPHAHCJ-NEYBNPPJSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 438.57, ALogP 4.1, HBA 6, HBD 0, PSA 41.49, QED 0.52
Compound (SMILES): NC(=O)[C@H]1CCCN1CCOCC1C2CN(c3ncnc4scc(-c5ccccc5)c34)CC12
InChIKey: DKNPTUZVJGECMN-KTNISTPSSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 463.61, ALogP 3.01, HBA 7, HBD 1, PSA 84.58, QED 0.52
Compound (SMILES): NC(=O)[C@@H]1CCCN1CCOCC1C2CN(c3ncnc4scc(-c5ccccc5)c34)CC12
InChIKey: DKNPTUZVJGECMN-GJFGYCNFSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 463.61, ALogP 3.01, HBA 7, HBD 1, PSA 84.58, QED 0.52
Compound (SMILES): CN(C)S(=O)(=O)c1ccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)cc1
InChIKey: AUFDRUJLIMQDQZ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 529.73, ALogP 3.94, HBA 8, HBD 0, PSA 78.87, QED 0.39
Compound (SMILES): NC(=O)[C@H]1CCCN1CCOCC1C2CN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC12
InChIKey: AAFIZEFWYLOSAA-KTNISTPSSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 481.6, ALogP 3.15, HBA 7, HBD 1, PSA 84.58, QED 0.5
Compound (SMILES): O=[N+]([O-])c1ccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)cc1
InChIKey: LUVXOPFKBCEBIL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 467.6, ALogP 4.6, HBA 8, HBD 0, PSA 84.63, QED 0.27
Compound (SMILES): Fc1ccc(-c2csc3ncnc(N4CC5C(COCCN6CC[C@H](F)C6)C5C4)c23)cc1
InChIKey: SPNRTCSZUUUYDZ-FKUUAESASA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 456.56, ALogP 4.24, HBA 6, HBD 0, PSA 41.49, QED 0.5
Compound (SMILES): Fc1ccc(-c2csc3ncnc(N4CC5C(COCCN6CC7CC6CO7)C5C4)c23)cc1
InChIKey: OOTPQZPAHPTHKP-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 466.58, ALogP 3.67, HBA 7, HBD 0, PSA 50.72, QED 0.5
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCC5CC5)CC4)c23)cc1
InChIKey: VNHYQFGSZWHGFW-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 378.55, ALogP 4.57, HBA 5, HBD 1, PSA 41.05, QED 0.68
Compound (SMILES): CC1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: CWBDZGCJEFOUCK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 392.57, ALogP 4.92, HBA 5, HBD 0, PSA 32.26, QED 0.63
Compound (SMILES): CCCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: OELMPVSAWQPAJL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 366.53, ALogP 4.57, HBA 5, HBD 1, PSA 41.05, QED 0.65
Compound (SMILES): FC(F)CNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: ADBVBMHOZGCOGZ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 388.49, ALogP 4.43, HBA 5, HBD 1, PSA 41.05, QED 0.68
Compound (SMILES): COCCN(CCOC)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: SEXSAICXFNPBDB-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 440.61, ALogP 4.17, HBA 7, HBD 0, PSA 50.72, QED 0.47
Compound (SMILES): CN(C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1(CO)CCCC1
InChIKey: VBVVHNAEZMNZNA-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 422.6, ALogP 4.56, HBA 6, HBD 1, PSA 52.49, QED 0.65
Compound (SMILES): OC1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: RTUHGNFNPBJYAU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 408.57, ALogP 4.03, HBA 6, HBD 1, PSA 52.49, QED 0.71
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CN5CCOC(c6ccccc6)C5)CC4)c23)cc1
InChIKey: OPIOUTYIFGUUBV-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 470.64, ALogP 5.65, HBA 6, HBD 0, PSA 41.49, QED 0.38
Compound (SMILES): CN(C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C(CO)Cc1ccccc1
InChIKey: JECIAXPQGLCQHS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 458.63, ALogP 4.86, HBA 6, HBD 1, PSA 52.49, QED 0.43
Compound (SMILES): CN1CCCC1CCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: WWIMWVVXMBIKLF-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 435.64, ALogP 4.65, HBA 6, HBD 1, PSA 44.29, QED 0.55
Compound (SMILES): CC(C)(CNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)N1CCOCC1
InChIKey: MVGPWAZXISKOAC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 465.67, ALogP 4.28, HBA 7, HBD 1, PSA 53.52, QED 0.56
Compound (SMILES): CN(C)C1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: HEEOIBYZNWLVMI-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 435.64, ALogP 4.6, HBA 6, HBD 0, PSA 35.5, QED 0.59
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCc5ccco5)CC4)c23)cc1
InChIKey: UIDLLMJWLSEICL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 404.54, ALogP 4.96, HBA 6, HBD 1, PSA 54.19, QED 0.49
Compound (SMILES): CC(C)N(CCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C(C)C
InChIKey: YNCCJCLBGUFOFB-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 451.68, ALogP 5.28, HBA 6, HBD 1, PSA 44.29, QED 0.45
Compound (SMILES): NCCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: RMUNSFIVFZDDKJ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 367.52, ALogP 3.12, HBA 6, HBD 2, PSA 67.07, QED 0.66
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNC5CCC5)CC4)c23)cc1
InChIKey: JDWNGZFYBXFOOU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 378.55, ALogP 4.72, HBA 5, HBD 1, PSA 41.05, QED 0.7
Compound (SMILES): OCC1CCCN1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: SVYXTYIVXDKQGY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 408.57, ALogP 4.03, HBA 6, HBD 1, PSA 52.49, QED 0.69
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCc5ccccn5)CC4)c23)cc1
InChIKey: QMAOFELLBUSCPY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 415.57, ALogP 4.76, HBA 6, HBD 1, PSA 53.94, QED 0.49
Compound (SMILES): O[C@H]1CN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C[C@@H]1N1CCCC1
InChIKey: STYSGPXOQINMPE-GOTSBHOMSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 463.65, ALogP 3.72, HBA 7, HBD 1, PSA 55.73, QED 0.62
Compound (SMILES): COC1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: DHKQQYYRRQNKQA-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 408.57, ALogP 4.3, HBA 6, HBD 0, PSA 41.49, QED 0.63
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCc5cccs5)CC4)c23)cc1
InChIKey: FGVMKDCOAGQONL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 420.61, ALogP 5.43, HBA 6, HBD 1, PSA 41.05, QED 0.45
Compound (SMILES): Fc1ccc(C2CCN(CC3CCN(c4ncnc5scc(-c6ccccc6)c45)CC3)C2)cc1
InChIKey: AINMGVPVXSSKBQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 472.63, ALogP 6.2, HBA 5, HBD 0, PSA 32.26, QED 0.35
Compound (SMILES): CN(C)CCN(C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: VBQHDWYHHLEMGL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 409.6, ALogP 4.07, HBA 6, HBD 0, PSA 35.5, QED 0.59
Compound (SMILES): CN(C)CCCN(C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: LEPHXULGNCNFIV-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 423.63, ALogP 4.46, HBA 6, HBD 0, PSA 35.5, QED 0.53
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CN5CCC5)CC4)c23)cc1
InChIKey: HAKVJWZAHQLEIL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 364.52, ALogP 4.28, HBA 5, HBD 0, PSA 32.26, QED 0.69
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNC5CC5)CC4)c23)cc1
InChIKey: BNKPGXYEDPWFAT-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 364.52, ALogP 4.33, HBA 5, HBD 1, PSA 41.05, QED 0.73
Compound (SMILES): CN(C)C1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: CEEORASGEKLLNE-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 435.64, ALogP 4.6, HBA 6, HBD 0, PSA 35.5, QED 0.59
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CN5CCC(N6CCCC6)C5)CC4)c23)cc1
InChIKey: FSNHBONVLSYMPK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 447.65, ALogP 4.74, HBA 6, HBD 0, PSA 35.5, QED 0.56
Compound (SMILES): Fc1ccc(-c2csc3ncnc(N4CCC(CNC5CC5)CC4)c23)cc1
InChIKey: SDJQBCZXYZNAFS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 382.51, ALogP 4.47, HBA 5, HBD 1, PSA 41.05, QED 0.71
Compound (SMILES): Fc1ccc(-c2csc3ncnc(N4CCC(CNC5CCC5)CC4)c23)cc1
InChIKey: YNPIGAQWXNCLCO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 396.54, ALogP 4.86, HBA 5, HBD 1, PSA 41.05, QED 0.67
Compound (SMILES): CN(C)C1CCCN(CC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)C1
InChIKey: CLSPMTVILWJMIR-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 453.63, ALogP 4.74, HBA 6, HBD 0, PSA 35.5, QED 0.56
Compound (SMILES): CN1CCCCC1CCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: WAMMFXAGGZPRPK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 449.67, ALogP 5.04, HBA 6, HBD 1, PSA 44.29, QED 0.51
Compound (SMILES): CN(C)[C@@H]1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: ZEXIDUUQTQWLDA-HXUWFJFHSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 421.61, ALogP 4.21, HBA 6, HBD 0, PSA 35.5, QED 0.62
Compound (SMILES): CN(CCC1CCCN1C(=O)OC(C)(C)C)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: YOWBCPUSBOPPMF-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 521.73, ALogP 6.05, HBA 7, HBD 0, PSA 61.8, QED 0.39
Compound (SMILES): CN(CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)CC1CCCN1
InChIKey: JZVFEMOMOICKER-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 421.61, ALogP 4.26, HBA 6, HBD 1, PSA 44.29, QED 0.64
Compound (SMILES): CN1CCCC1CNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: KCBBUCIUHGINFU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 421.61, ALogP 4.26, HBA 6, HBD 1, PSA 44.29, QED 0.64
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCCC5CCCN5)CC4)c23)cc1
InChIKey: ZGOVHIWCOPUGBF-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 421.61, ALogP 4.31, HBA 6, HBD 2, PSA 53.08, QED 0.56
Compound (SMILES): CN(CCC1CCCN1)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: AALWMQLVKJKLJH-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 435.64, ALogP 4.65, HBA 6, HBD 1, PSA 44.29, QED 0.59
Compound (SMILES): CCN1CCCC1CCN(C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: PKXYMQUVKOWCMM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 463.7, ALogP 5.38, HBA 6, HBD 0, PSA 35.5, QED 0.45
Compound (SMILES): CC(C)N1CCCC1CCN(C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: GHFPIGVDOHESMS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 477.72, ALogP 5.77, HBA 6, HBD 0, PSA 35.5, QED 0.41
Compound (SMILES): CC(=O)N1CCCC1CCN(C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: PDWSVCPRUVDQKL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 477.68, ALogP 4.91, HBA 6, HBD 0, PSA 52.57, QED 0.48
Compound (SMILES): N[C@H]1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: UPUBYODLRVJDSY-IBGZPJMESA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 407.59, ALogP 4, HBA 6, HBD 1, PSA 58.28, QED 0.71
Compound (SMILES): CN1CC(N(C)C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1=O
InChIKey: WYKHMHCNCWFAJY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 421.57, ALogP 3.49, HBA 6, HBD 0, PSA 52.57, QED 0.65
Compound (SMILES): F[C@H]1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: XFTUUUBPSHXSLK-SFHVURJKSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 396.54, ALogP 4.62, HBA 5, HBD 0, PSA 32.26, QED 0.64
Compound (SMILES): CN(CC(=O)N1CCCC1)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: FCCVOMZNWXHDNC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 449.62, ALogP 4.13, HBA 6, HBD 0, PSA 52.57, QED 0.57
Compound (SMILES): C=CCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: GIORRLJTYCXCDP-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 364.52, ALogP 4.35, HBA 5, HBD 1, PSA 41.05, QED 0.52
Compound (SMILES): OCC1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: WUUBEMISODLBSH-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 408.57, ALogP 3.89, HBA 6, HBD 1, PSA 52.49, QED 0.69
Compound (SMILES): CC(NC1CC1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: TWWNTTIVGVZCAU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 378.55, ALogP 4.72, HBA 5, HBD 1, PSA 41.05, QED 0.7
Compound (SMILES): CN1CCC(NCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: NMMONRAUMFQYSQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 421.61, ALogP 4.26, HBA 6, HBD 1, PSA 44.29, QED 0.67
Compound (SMILES): CC1CCC(C)N1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: DXTJWAKKLIVOBV-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 406.6, ALogP 5.45, HBA 5, HBD 0, PSA 32.26, QED 0.58
Compound (SMILES): FC(F)(F)C1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: RWHMGLCHHLLGRA-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 460.57, ALogP 5.85, HBA 5, HBD 0, PSA 32.26, QED 0.49
Compound (SMILES): CN1CCC[C@H]1CCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: WWIMWVVXMBIKLF-NRFANRHFSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 435.64, ALogP 4.65, HBA 6, HBD 1, PSA 44.29, QED 0.55
Compound (SMILES): CN(CCC1CCCN1C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: VTEDPXVKRQYAMO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 449.67, ALogP 4.99, HBA 6, HBD 0, PSA 35.5, QED 0.51
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCCC5CCCO5)CC4)c23)cc1
InChIKey: BFKKPHMOJIVZIU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 422.6, ALogP 4.73, HBA 6, HBD 1, PSA 50.28, QED 0.56
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCCC5CC5)CC4)c23)cc1
InChIKey: OGPCNSREQLWKEK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 392.57, ALogP 4.96, HBA 5, HBD 1, PSA 41.05, QED 0.58
Compound (SMILES): CN1CCC(CCNCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: WGOZJXKMNGPCLH-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 435.64, ALogP 4.51, HBA 6, HBD 1, PSA 44.29, QED 0.55
Compound (SMILES): CN(CC(=O)N1CCCC1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: FTMADQXXZSNJRV-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 435.6, ALogP 3.88, HBA 6, HBD 0, PSA 52.57, QED 0.61
Compound (SMILES): NC(=O)[C@@H]1CCCN1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: UNTVEFISGPAOOS-IBGZPJMESA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 421.57, ALogP 3.52, HBA 6, HBD 1, PSA 75.35, QED 0.68
Compound (SMILES): CN1CCN(c2nc(N3CCC(CN(CCO)CCO)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: STQSUHYVMQLQAH-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 510.71, ALogP 2.61, HBA 9, HBD 2, PSA 79.2, QED 0.45
Compound (SMILES): CC(C)NCC1CCN(c2nc(NCCN3CCCC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: XLRVMLGOGYSMAL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 478.71, ALogP 5.08, HBA 7, HBD 2, PSA 56.32, QED 0.45
Compound (SMILES): COCCNCC1CCN(c2nc(NCCN3CCCC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: CRLQEQYKIIIJSY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 494.71, ALogP 4.32, HBA 8, HBD 2, PSA 65.55, QED 0.39
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(NCCN4CCCC4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: RDACEUVICKCWOY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 533.79, ALogP 4.72, HBA 8, HBD 1, PSA 50.77, QED 0.43
Compound (SMILES): CN1CCN(c2nc(N3CCC(CN(C)C4CCN(C)C4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: WGJRSLCQRLRDRN-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 519.76, ALogP 3.96, HBA 8, HBD 0, PSA 41.98, QED 0.49
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N4CCNCC4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: IVYWBZWLYNTDJK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 505.74, ALogP 3.62, HBA 8, HBD 1, PSA 50.77, QED 0.55
Compound (SMILES): CN1CCN(c2nc(N3CCC(N(C)C4(CO)CCCC4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: OKMKJZRVNFMHGZ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 520.75, ALogP 4.32, HBA 8, HBD 1, PSA 58.97, QED 0.52
Compound (SMILES): CN1CCN(c2nc(N3CCC(CNCCC4CCCN4C)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: AOUAPEKAUHZFGY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 533.79, ALogP 4.4, HBA 8, HBD 1, PSA 50.77, QED 0.43
Compound (SMILES): CN1CCN(c2nc(N3CCC(CN4CCCC(N(C)C)C4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: NQCLNANRPRPADW-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 533.79, ALogP 4.35, HBA 8, HBD 0, PSA 41.98, QED 0.47
Compound (SMILES): CN1CCN(c2nc(N3CCC(CNC4CCC4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: XAAYFDPZDYVVPY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 476.69, ALogP 4.47, HBA 7, HBD 1, PSA 47.53, QED 0.57
Compound (SMILES): CN(C)C1CCCN(CC2CCN(c3nc(NCCN4CCCC4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: UULIHMCCZFOKID-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P63251
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction in depolarizing voltage step-induced recombinant G-protein activated inward rectifier current by whole cell patch clamp assay
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 547.82, ALogP 5.11, HBA 8, HBD 1, PSA 50.77, QED 0.4