lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)c1csc2ncnc(N3CC4CC3CC4OCCN3CCCC3)c12
InChIKey: QFRBKVQYHLOLIC-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 386.57, ALogP 3.89, HBA 6, HBD 0, PSA 41.49, QED 0.75
Compound (SMILES): c1ccc(-c2csc3ncnc(N4C5CCC4CC(OCCN4CCCC4)C5)c23)cc1
InChIKey: JMFMIIUCEQNTSV-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 4.97, HBA 6, HBD 0, PSA 41.49, QED 0.55
Compound (SMILES): NC(=O)C1CCN(CCOC2CC3CC2CN3c2ncnc3scc(-c4ccccc4)c23)C1
InChIKey: HVROVLUPBMYTLG-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 463.61, ALogP 3.15, HBA 7, HBD 1, PSA 84.58, QED 0.58
Compound (SMILES): F[C@H]1CCN(CCOC2CC3CC2CN3c2ncnc3scc(-c4ccccc4)c23)C1
InChIKey: LVMINFRDIPFWOO-PWWBFRNWSA-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 4.39, HBA 6, HBD 0, PSA 41.49, QED 0.57
Compound (SMILES): CC(C)c1csc2ncnc(N3CC4CC3CC4OCCN3CC4CC3CO4)c12
InChIKey: MJHYJINVDKIRFO-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 414.58, ALogP 3.27, HBA 7, HBD 0, PSA 50.72, QED 0.72
Compound (SMILES): NC(=O)[C@H]1CCCN1CCOC1CC2CC1CN2c1ncnc2scc(-c3ccccc3)c12
InChIKey: SXACBQVAZISJSA-RVTZPOIJSA-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 3.29, HBA 7, HBD 1, PSA 84.58, QED 0.58
Compound (SMILES): CC(C)c1csc2ncnc(N3CC4CC3CC4OCCN3CC[C@H](F)C3)c12
InChIKey: MUHIWTRMLIAJQY-CKXUZFMQSA-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 404.56, ALogP 3.84, HBA 6, HBD 0, PSA 41.49, QED 0.73
Compound (SMILES): CC(C)c1csc2ncnc(N3CC4CC3CC4OCCN3CC[C@@H](F)C3)c12
InChIKey: MUHIWTRMLIAJQY-ZWIHVQRSSA-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 404.56, ALogP 3.84, HBA 6, HBD 0, PSA 41.49, QED 0.73
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(OCCCN5CCCC5)CC4)c23)cc1
InChIKey: TXNSMRBWDLPIQO-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 4.83, HBA 6, HBD 0, PSA 41.49, QED 0.51
Compound (SMILES): CC(C)c1csc2ncnc(N3C4CCC3CC(OCCN3CCCC3)C4)c12
InChIKey: WYQGPYVYCAYFCS-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 400.59, ALogP 4.43, HBA 6, HBD 0, PSA 41.49, QED 0.72
Compound (SMILES): COCC1CCN(c2nc(N3C4CCC3CC(O)C4)nc3scc(-c4ccccc4)c23)CC1
InChIKey: AVNWJMSJRMOWTA-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 464.64, ALogP 4.71, HBA 7, HBD 1, PSA 61.72, QED 0.59
Compound (SMILES): COCC1CC2CCC(C1)N2c1nc(N2CCOCC2)c2c(-c3ccccc3)csc2n1
InChIKey: WCFXWUBWZVTGJK-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 450.61, ALogP 4.59, HBA 7, HBD 0, PSA 50.72, QED 0.57
Compound (SMILES): c1cc2c(N3C4CCC3COC4)nc(N3CCC(COCCN4CCCC4)CC3)nc2s1
InChIKey: RPXLZIMDKYWADS-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 457.64, ALogP 3.39, HBA 8, HBD 0, PSA 53.96, QED 0.59
Compound (SMILES): CC(C)CC(=O)Nc1sc2nc(N3CCC(COCCN4CCCC4)CC3)ncc2c1-c1ccccc1
InChIKey: KBKRSGKSTCYSEU-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 5.67, HBA 7, HBD 1, PSA 70.59, QED 0.35
Compound (SMILES): CC(C)C(=O)Nc1sc2nc(N3CCC(COCCN4CCCC4)CC3)ncc2c1-c1ccccc1
InChIKey: BBWDCJFXYIIWIR-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 507.7, ALogP 5.28, HBA 7, HBD 1, PSA 70.59, QED 0.4
Compound (SMILES): NC(=O)C1CN(c2nc(N3CCC(COCCN4CCCC4)CC3)nc3scc(-c4ccccc4)c23)CCO1
InChIKey: YWQHXOQJYBFUNN-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 550.73, ALogP 3.38, HBA 9, HBD 1, PSA 97.05, QED 0.41
Compound (SMILES): NC(=O)C1CCN(c2nc(N3CCOCC3)c3c(-c4ccccc4)csc3n2)C1
InChIKey: DWBJNXCAZISNLU-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 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 409.52, ALogP 2.51, HBA 7, HBD 1, PSA 84.58, QED 0.71
Compound (SMILES): COCC1CCN(c2nc(OC3CC4CC3CN4)nc3scc(-c4ccccc4)c23)CC1
InChIKey: RKWFTFKKKXFURW-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 4.35, HBA 7, HBD 1, PSA 59.51, QED 0.6
Compound (SMILES): c1ccc(-c2coc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)cc1
InChIKey: ANDXWORBJCJVSZ-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 406.53, ALogP 4.22, HBA 6, HBD 0, PSA 54.63, QED 0.55
Compound (SMILES): NC(=O)C1CCN(c2nc(N3CC4CC3CO4)c3c(-c4ccccc4)csc3n2)C1
InChIKey: LHQRHMBBGWFSNY-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 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 421.53, ALogP 2.65, HBA 7, HBD 1, PSA 84.58, QED 0.7
Compound (SMILES): NC(=O)C1CCN(c2nc(N3C4CCC3CC(CO)C4)c3c(-c4ccccc4)csc3n2)C1
InChIKey: DNNNXMCKISCNGM-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 463.61, ALogP 3.41, HBA 7, HBD 2, PSA 95.58, QED 0.6
Compound (SMILES): c1cc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)ccn1
InChIKey: CVBSMFLAQBNRGI-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 423.59, ALogP 4.08, HBA 7, HBD 0, PSA 54.38, QED 0.53
Compound (SMILES): COc1cccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)c1
InChIKey: QTAOZUSOARVDIK-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 452.62, ALogP 4.7, HBA 7, HBD 0, PSA 50.72, QED 0.46
Compound (SMILES): FC(F)(F)Oc1cccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)c1
InChIKey: PNQDBHKBUDFKST-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 506.59, ALogP 5.59, HBA 7, HBD 0, PSA 50.72, QED 0.37
Compound (SMILES): Nc1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccccc3)csc2n1
InChIKey: QWQZKVBHXDQBBM-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 437.61, ALogP 4.27, HBA 7, HBD 1, PSA 67.51, QED 0.56
Compound (SMILES): c1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccoc3)csc2n1
InChIKey: LVMSDBCOYRQBFT-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 412.56, ALogP 4.28, HBA 7, HBD 0, PSA 54.63, QED 0.54
Compound (SMILES): COc1ncccc1-c1csc2ncnc(N3CCC(COCCN4CCCC4)CC3)c12
InChIKey: MFDJXAAYHQIIJB-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 453.61, ALogP 4.09, HBA 8, HBD 0, PSA 63.61, QED 0.48
Compound (SMILES): c1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccsc3)csc2n1
InChIKey: AGCBLUNVDPIYDM-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 428.63, ALogP 4.75, HBA 7, HBD 0, PSA 41.49, QED 0.51
Compound (SMILES): CC(C)(C)NC(C)(C)C#Cc1ncnc2scc(-c3ccccc3)c12
InChIKey: BDUUODHQIUXNTB-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 349.5, ALogP 4.88, HBA 4, HBD 1, PSA 37.81, QED 0.67
Compound (SMILES): c1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccc4c(c3)OCO4)csc2n1
InChIKey: XFNFKCVVCLFILN-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 466.61, ALogP 4.42, HBA 8, HBD 0, PSA 59.95, QED 0.48
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)nc1
InChIKey: DGHCWTDEOSPNER-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 423.59, ALogP 4.08, HBA 7, HBD 0, PSA 54.38, QED 0.53
Compound (SMILES): c1ccc(-c2csc3nc(C4CC4)nc(N4C5CCC4CC(NC4CCC4)C5)c23)cc1
InChIKey: GYPNWSVUCDBTGI-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 430.62, ALogP 5.88, HBA 5, HBD 1, PSA 41.05, QED 0.55
Compound (SMILES): c1ccc(-c2csc3nc(C4CC4)nc(N4C5CCC4CC(N4CCC4)C5)c23)cc1
InChIKey: AYCSRVUKHGIXPT-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 416.59, ALogP 5.44, HBA 5, HBD 0, PSA 32.26, QED 0.57
Compound (SMILES): c1ccc(-c2csc3ncnc(N4C5CCC4CC(CNC4CCC4)C5)c23)cc1
InChIKey: NYUKKWDMOALTEQ-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 404.58, ALogP 5.25, HBA 5, HBD 1, PSA 41.05, QED 0.63
Compound (SMILES): c1cncc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)c1
InChIKey: HYXKALMZDYNXTJ-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 423.59, ALogP 4.08, HBA 7, HBD 0, PSA 54.38, QED 0.53
Compound (SMILES): c1ccc(-c2csc3ncnc(N4C5CCC4CC(NC4CCC4)C5)c23)cc1
InChIKey: WZOYBWBJOXERPX-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 390.56, ALogP 5, HBA 5, HBD 1, PSA 41.05, QED 0.68
Compound (SMILES): c1ccc(-c2csc3ncnc(N4C5CCC4CC(N4CCC4)C5)c23)cc1
InChIKey: SQBNJPZXURNVCR-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 376.53, ALogP 4.56, HBA 5, HBD 0, PSA 32.26, QED 0.67
Compound (SMILES): CC(C)NC1CC2CCC(C1)N2c1ncnc2scc(-c3ccccc3)c12
InChIKey: XKXRZPKBBFMCDD-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 4.86, HBA 5, HBD 1, PSA 41.05, QED 0.7
Compound (SMILES): CC(C)Oc1ncccc1-c1csc2ncnc(N3CCC(COCCN4CCCC4)CC3)c12
InChIKey: UXZLBAOPLLGLGV-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 481.67, ALogP 4.87, HBA 8, HBD 0, PSA 63.61, QED 0.4
Compound (SMILES): COc1ccccc1-c1csc2ncnc(N3CCC(COCCN4CCCC4)CC3)c12
InChIKey: JADUZXPXJACWGP-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 452.62, ALogP 4.7, HBA 7, HBD 0, PSA 50.72, QED 0.46
Compound (SMILES): CN(C)C(=O)c1ccccc1-c1csc2ncnc(N3CCC(COCCN4CCCC4)CC3)c12
InChIKey: YWUCMWXUPAHCCX-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 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 493.68, ALogP 4.39, HBA 7, HBD 0, PSA 61.8, QED 0.43
Compound (SMILES): CCOc1ncccc1-c1csc2ncnc(N3CCC(COCCN4CCCC4)CC3)c12
InChIKey: ZKIKWBMDVQCJOU-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 467.64, ALogP 4.48, HBA 8, HBD 0, PSA 63.61, QED 0.43
Compound (SMILES): CN(C)C(=O)c1cccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)c1
InChIKey: JTDJYGRQISPLBM-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 493.68, ALogP 4.39, HBA 7, HBD 0, PSA 61.8, QED 0.43
Compound (SMILES): CC(C)(C)NCC1CC2CCC(C1)N2c1ncnc2scc(-c3ccccc3)c12
InChIKey: WRADCPXOWJTAKT-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 406.6, ALogP 5.49, HBA 5, HBD 1, PSA 41.05, QED 0.62
Compound (SMILES): CC(C)NCC1CC2CCC(C1)N2c1ncnc2scc(-c3ccccc3)c12
InChIKey: MBZYTPDFFGKCEG-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 5.1, HBA 5, HBD 1, PSA 41.05, QED 0.66
Compound (SMILES): c1ccc(-c2csc3ncnc(N4C5CCC4CC(CN4CCCC4)C5)c23)cc1
InChIKey: WZKYLZZSFJHIPY-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 404.58, ALogP 5.2, HBA 5, HBD 0, PSA 32.26, QED 0.6
Compound (SMILES): FC(F)(F)c1nc(N2CCOCC2)c2c(-c3ccccc3)csc2n1
InChIKey: BDMHJTAFSZTUFA-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 365.38, ALogP 4.21, HBA 5, HBD 0, PSA 38.25, QED 0.68
Compound (SMILES): NC(=O)C1CCN(c2nc(N3C4CCC3CC(NC3CCC3)C4)c3c(-c4ccccc4)csc3n2)C1
InChIKey: XKTDXCBESMUDEU-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 502.69, ALogP 4.31, HBA 7, HBD 2, PSA 87.38, QED 0.52
Compound (SMILES): N#Cc1nc(N2C3CCC2CC(NC2CCC2)C3)c2c(-c3ccccc3)csc2n1
InChIKey: FQICDYYMEAOOHI-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 4.87, HBA 6, HBD 1, PSA 64.84, QED 0.66
Compound (SMILES): CN(C)C(=O)c1sc2ncnc(N3C4CCC3CC(NC3CCC3)C4)c2c1-c1ccccc1
InChIKey: CFCYAEPRPBOWCR-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 461.64, ALogP 4.7, HBA 6, HBD 1, PSA 61.36, QED 0.6
Compound (SMILES): FC(F)(F)c1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccccc3)csc2n1
InChIKey: XMQUHTSBPVDEDA-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 490.6, ALogP 5.71, HBA 6, HBD 0, PSA 41.49, QED 0.4
Compound (SMILES): FC(F)(F)Oc1ccccc1-c1csc2ncnc(N3C4CCC3CC(NC3CCC3)C4)c12
InChIKey: RECSXJUSUQMDON-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 474.55, ALogP 5.9, HBA 6, HBD 1, PSA 50.28, QED 0.5
Compound (SMILES): COc1ccccc1-c1csc2ncnc(N3C4CCC3CC(NC3CCC3)C4)c12
InChIKey: GLFHPMCOAMYVDZ-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 5.01, HBA 6, HBD 1, PSA 50.28, QED 0.63
Compound (SMILES): CNC(=O)c1sc2ncnc(N3C4CCC3CC(NC3CCC3)C4)c2c1-c1ccccc1
InChIKey: ODXWRMVPDOWVPY-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 447.61, ALogP 4.36, HBA 6, HBD 2, PSA 70.15, QED 0.61
Compound (SMILES): Cc1ccccc1-c1csc2ncnc(N3C4CCC3CC(NC3CCC3)C4)c12
InChIKey: VYZWMNGLPNYSSB-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 404.58, ALogP 5.31, HBA 5, HBD 1, PSA 41.05, QED 0.64
Compound (SMILES): COc1ncccc1-c1csc2ncnc(N3C4CCC3CC(NC3CCC3)C4)c12
InChIKey: YCFPRZDCTOQEFW-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 421.57, ALogP 4.4, HBA 7, HBD 1, PSA 63.17, QED 0.66
Compound (SMILES): COc1ncc(F)cc1-c1csc2ncnc(N3C4CCC3CC(NC3CCC3)C4)c12
InChIKey: PTDAWIJZOOPLKX-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 439.56, ALogP 4.54, HBA 7, HBD 1, PSA 63.17, QED 0.63
Compound (SMILES): CN(C)C(=O)c1sc2ncnc(N3C4CCC3CC(N(C)C3CCC3)C4)c2c1-c1ccccc1
InChIKey: VDGCODWJPRAMJG-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 475.66, ALogP 5.04, HBA 6, HBD 0, PSA 52.57, QED 0.52
Compound (SMILES): COC1CC2CCC(C1)N2c1nc(OC2CC3CC2CN3)nc2scc(-c3ccccc3)c12
InChIKey: ZBUDYUVFCLCXHS-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 462.62, ALogP 4.63, HBA 7, HBD 1, PSA 59.51, QED 0.6
Compound (SMILES): c1ccc(-c2csc3nc(OC4CC5CC4CN5)nc(N4C5CCC4COC5)c23)cc1
InChIKey: YOKQRKGBBONSSC-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 434.57, ALogP 3.86, HBA 7, HBD 1, PSA 59.51, QED 0.67
Compound (SMILES): COc1ccccc1-c1csc2ncnc(N3C4CCC3CC(N(C)C3CCC3)C4)c12
InChIKey: BSRYYGNBQDLHSP-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 5.35, HBA 6, HBD 0, PSA 41.49, QED 0.54
Compound (SMILES): COc1ncccc1-c1csc2ncnc(N3C4CCC3CC(N(C)C3CCC3)C4)c12
InChIKey: HJFRCNUQRYLTQB-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 4.75, HBA 7, HBD 0, PSA 54.38, QED 0.58
Compound (SMILES): COCC1CC2CCC(C1)N2c1nc(OC2CC3CC2CN3)nc2scc(-c3ccccc3)c12
InChIKey: WRCUZHDXFVJCBO-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 476.65, ALogP 4.88, HBA 7, HBD 1, PSA 59.51, QED 0.55
Compound (SMILES): CN(C)C(=O)c1sc2ncnc(N3C4CCC3CC(N3CCCC3)C4)c2c1-c1ccccc1
InChIKey: SFUAQNRDKASICW-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 461.64, ALogP 4.66, HBA 6, HBD 0, PSA 52.57, QED 0.57
Compound (SMILES): CC(C)NC(=O)c1sc2ncnc(N3C4CCC3CC(N3CCCC3)C4)c2c1-c1ccccc1
InChIKey: BWLDMVNBYJFBAC-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 475.66, ALogP 5.09, HBA 6, HBD 1, PSA 61.36, QED 0.56
Compound (SMILES): CN(C)C(=O)c1sc2ncnc(N3C4CCC3CC(COCCN3CCCC3)C4)c2c1-c1ccccc1
InChIKey: GUKXQXXGQDYBHD-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 519.72, ALogP 4.92, HBA 7, HBD 0, PSA 61.8, QED 0.39
Compound (SMILES): CC(C)NC(=O)c1sc2ncnc(N3C4CCC3CC(COCCN3CCCC3)C4)c2c1-c1ccccc1
InChIKey: XMCPYTUFNOLFGY-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 533.74, ALogP 5.36, HBA 7, HBD 1, PSA 70.59, QED 0.37
Compound (SMILES): COc1ccccc1-c1csc2nc(C3CC3)nc(N3CCC(COCCN4CCCC4)CC3)c12
InChIKey: HTELSLAJWRHNRH-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 492.69, ALogP 5.57, HBA 7, HBD 0, PSA 50.72, QED 0.36
Compound (SMILES): FC(F)(F)c1nc(N2C3CCC2CC(NC2CCC2)C3)c2c(-c3ccccc3)csc2n1
InChIKey: OTAGTZLCHIZDFB-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 458.55, ALogP 6.02, HBA 5, HBD 1, PSA 41.05, QED 0.52
Compound (SMILES): c1ccc(-c2csc3nc(C4CC4)nc(N4CCC(COCCN5CCCC5)CC4)c23)cc1
InChIKey: XQCACAMMANJAFC-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 462.66, ALogP 5.56, HBA 6, HBD 0, PSA 41.49, QED 0.41
Compound (SMILES): CNC(=O)c1sc2ncnc(N3C4CCC3CC(COCCN3CCCC3)C4)c2c1-c1ccccc1
InChIKey: SJAKOLHVHLXMJN-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 505.69, ALogP 4.58, HBA 7, HBD 1, PSA 70.59, QED 0.45
Compound (SMILES): COc1ccccc1-c1csc2ncnc(N3C4CCC3CC(COCCN3CCCC3)C4)c12
InChIKey: KUYGOUNHKXGIAR-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 478.66, ALogP 5.23, HBA 7, HBD 0, PSA 50.72, QED 0.41
Compound (SMILES): COc1ncccc1-c1csc2ncnc(N3C4CCC3CC(COCCN3CCCC3)C4)c12
InChIKey: UHBFFSPUFZJYHT-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 4.62, HBA 8, HBD 0, PSA 63.61, QED 0.44
Compound (SMILES): CN(C)C(=O)c1ccccc1-c1csc2ncnc(N3C4CCC3CC(COCCN3CCCC3)C4)c12
InChIKey: UTZYKKISSLFQOE-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 519.72, ALogP 4.92, HBA 7, HBD 0, PSA 61.8, QED 0.39
Compound (SMILES): COc1ncccc1-c1csc2ncnc(N3C4CCC3CC(CO)C4)c12
InChIKey: CMZSTCCBZAZQDO-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 382.49, ALogP 3.5, HBA 7, HBD 1, PSA 71.37, QED 0.74
Compound (SMILES): COCC1CC2CCC(C1)N2c1nc(OC2CC3CC2CN3)nc2sc(C(=O)N(C)C)c(-c3ccccc3)c12
InChIKey: CCJXFTASBFNTFY-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 547.73, ALogP 4.58, HBA 8, HBD 1, PSA 79.82, QED 0.46
Compound (SMILES): COc1ccccc1-c1csc2ncnc(N3C4CCC3CC(CNC3CCC3)C4)c12
InChIKey: AVEVXLUFNYICPV-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 5.26, HBA 6, HBD 1, PSA 50.28, QED 0.57
Compound (SMILES): O=C1NCCN1c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: FPIIKYDXXFILAH-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 506.68, ALogP 4.22, HBA 7, HBD 1, PSA 73.83, QED 0.46
Compound (SMILES): O=S1(=O)CCCN1c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: FULSOPXKMHOYDS-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 541.74, ALogP 4.23, HBA 8, HBD 0, PSA 78.87, QED 0.4
Compound (SMILES): COc1ccccc1-c1csc2nc(N3C4CCC3CC(CO)C4)nc(N3C4CCC3CC(OC)C4)c12
InChIKey: RRCDRYBBCFYOKL-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 Q-patch automated patch clamp method
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 520.7, ALogP 5.25, HBA 8, HBD 1, PSA 70.95, QED 0.48
Compound (SMILES): COCC1CC2CCC(C1)N2c1nc(N2C3CCC2CC(O)C3)nc2scc(-c3ccccc3OC)c12
InChIKey: WOHJMAZPFITFEB-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 Q-patch automated patch clamp method
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 520.7, ALogP 5.25, HBA 8, HBD 1, PSA 70.95, QED 0.48
Compound (SMILES): COC1CC2CCC(C1)N2c1nc(N2CCCC(C(N)=O)C2)nc2scc(-c3ccccc3Cl)c12
InChIKey: XKBYIUCEHMKORJ-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 Q-patch automated patch clamp method
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 512.08, ALogP 4.86, HBA 7, HBD 1, PSA 84.58, QED 0.53
Compound (SMILES): COC1CC2CCC(C1)N2c1nc(N2CCCC(C(N)=O)C2)c2c(-c3ccccc3Cl)csc2n1
InChIKey: YJYPRTOFPMGXOA-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 Q-patch automated patch clamp method
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 512.08, ALogP 4.86, HBA 7, HBD 1, PSA 84.58, QED 0.53
Compound (SMILES): COC1CC2CCC(C1)N2c1nc(N2C3CCC2CC(O)C3)nc2scc(-c3ccccc3Cl)c12
InChIKey: ZRNYAYVNFBZGLJ-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 Q-patch automated patch clamp method
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 511.09, ALogP 5.65, HBA 7, HBD 1, PSA 61.72, QED 0.49
Compound (SMILES): COCC1CC2CCC(C1)N2c1nc(N2CCC(C(N)=O)C2)nc2scc(-c3ccccc3OC)c12
InChIKey: ZWKAPACSPOCNQE-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 Q-patch automated patch clamp method
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 507.66, ALogP 4.07, HBA 8, HBD 1, PSA 93.81, QED 0.52
Compound (SMILES): COc1ccccc1-c1csc2nc(N3C4CCC3CC(O)C4)nc(N3C4CCC3CC(OC)C4)c12
InChIKey: JNBSGTWYFKDBNP-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 Q-patch automated patch clamp method
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 506.67, ALogP 5.01, HBA 8, HBD 1, PSA 70.95, QED 0.52
Compound (SMILES): COCC1CC2CCC(C1)N2c1nc(N2CCNC(=O)C2)nc2scc(-c3ccccc3OC)c12
InChIKey: NWEIACUHIXVBCM-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 Q-patch automated patch clamp method
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 493.63, ALogP 3.7, HBA 8, HBD 1, PSA 79.82, QED 0.56
Compound (SMILES): COc1ccccc1-c1csc2nc(N3C4CCC3COC4)nc(N3C4CCC3CC(OC)C4)c12
InChIKey: JDLKFESGMIUTAM-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 Q-patch automated patch clamp method
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 492.65, ALogP 4.88, HBA 8, HBD 0, PSA 59.95, QED 0.5
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCNC(=O)C3)nc(N3C4CCC3CC(OC)C4)c12
InChIKey: SNNGZNKEAJUSQK-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 Q-patch automated patch clamp method
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 479.61, ALogP 3.45, HBA 8, HBD 1, PSA 79.82, QED 0.6
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCCC(C(N)=O)C3)nc(N3C4CCC3CC(OC)C4)c12
InChIKey: UBBKUGOZPILJOT-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 Q-patch automated patch clamp method
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 507.66, ALogP 4.21, HBA 8, HBD 1, PSA 93.81, QED 0.53
Compound (SMILES): COC1CC2CCC(C1)N2c1nc(N2CCNC(=O)C2)nc2scc(-c3ccccc3Cl)c12
InChIKey: USAISFCQKLXUDW-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 Q-patch automated patch clamp method
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 484.03, ALogP 4.09, HBA 7, HBD 1, PSA 70.59, QED 0.6
Compound (SMILES): COC1CC2CCC(C1)N2c1nc(N2CCNC(C(N)=O)C2)nc2scc(-c3ccccc3Cl)c12
InChIKey: VONJJJKKPQOLJB-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 Q-patch automated patch clamp method
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 513.07, ALogP 3.42, HBA 8, HBD 2, PSA 96.61, QED 0.54
Compound (SMILES): NC(=O)C1CCCN(c2nc(N3C4CCC3CC(CO)C4)nc3scc(-c4ccccc4Cl)c23)C1
InChIKey: VOFSQVKVLXVPDL-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 Q-patch automated patch clamp method
Measurement: IC50 < 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 512.08, ALogP 4.45, HBA 7, HBD 2, PSA 95.58, QED 0.53