lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COCCNc1nc(N2CCC(CN(C)C3CCN(C)C3)CC2)c2c(-c3ccccc3)csc2n1
InChIKey: JSHOFIHAJOXVRN-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 494.71, ALogP 4.27, HBA 8, HBD 1, PSA 56.76, QED 0.45
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(NCC4CC4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: VJIQWNGJIMPFBC-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 490.72, ALogP 5.03, HBA 7, HBD 1, PSA 47.53, QED 0.48
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N4CCC(C(N)=O)C4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: UJYWAKUSEQRDHA-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 533.75, ALogP 3.52, HBA 8, HBD 1, PSA 81.83, QED 0.5
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N(C)CC(N)=O)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: DNCYBALWUCZKJU-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 507.71, ALogP 3.13, HBA 8, HBD 1, PSA 81.83, QED 0.5
Compound (SMILES): COCCN1CCN(c2nc(N3CCC(CN(C)C4CCN(C)C4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: OLPNESUVOGBIBW-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 563.82, ALogP 3.98, HBA 9, HBD 0, PSA 51.21, QED 0.39
Compound (SMILES): CN(C)C1CCCN(CC2CCN(c3nc(N4CCC(C(N)=O)C4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: STZBIAMKHPNIHH-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 547.77, ALogP 3.91, HBA 8, HBD 1, PSA 81.83, QED 0.48
Compound (SMILES): COCCNc1nc(N2CCC(CN3CCCC(N(C)C)C3)CC2)c2c(-c3ccccc3)csc2n1
InChIKey: KIOYNDUTAGTFJI-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 508.74, ALogP 4.66, HBA 8, HBD 1, PSA 56.76, QED 0.42
Compound (SMILES): O=C1CN(c2nc(N3CCC(CNC4CCC4)CC3)c3c(-c4ccccc4)csc3n2)CCN1
InChIKey: BNQFCXWMONEHPT-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 476.65, ALogP 3.65, HBA 7, HBD 2, PSA 73.39, QED 0.57
Compound (SMILES): COCCNc1nc(N2CCC(CNC3CCC3)CC2)c2c(-c3ccccc3)csc2n1
InChIKey: XQSAGKOJBJDHQR-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 451.64, ALogP 4.78, HBA 7, HBD 2, PSA 62.31, QED 0.46
Compound (SMILES): c1ccc(-c2csc3nc(NCCN4CCCC4)nc(N4CCC(CNC5CCC5)CC4)c23)cc1
InChIKey: ZRKLCIJYBFYTPK-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 490.72, ALogP 5.22, HBA 7, HBD 2, PSA 56.32, QED 0.43
Compound (SMILES): NC(=O)C1CCN(c2nc(N3CCC(CNC4CCC4)CC3)c3c(-c4ccccc4)csc3n2)C1
InChIKey: HCBURNGQXCLMEI-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 490.68, ALogP 4.03, HBA 7, HBD 2, PSA 87.38, QED 0.52
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N4CCCCC4C(N)=O)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: MFOWDSSKCHODLN-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 547.77, ALogP 4.05, HBA 8, HBD 1, PSA 81.83, QED 0.48
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N4CCCC4C(N)=O)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: BXQIJEWXGSNMPH-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 533.75, ALogP 3.66, HBA 8, HBD 1, PSA 81.83, QED 0.5
Compound (SMILES): CNC(=O)c1sc2ncnc(N3CCC(CN(C)C4CCN(C)C4)CC3)c2c1-c1ccccc1
InChIKey: RFZNTLUDKKDNED-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 478.67, ALogP 3.57, HBA 7, HBD 1, PSA 64.6, QED 0.58
Compound (SMILES): CC(C)NC(=O)c1sc2ncnc(N3CCC(CN(C)C4CCN(C)C4)CC3)c2c1-c1ccccc1
InChIKey: DAMOQGBLJYYBIT-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 506.72, ALogP 4.35, HBA 7, HBD 1, PSA 64.6, QED 0.51
Compound (SMILES): CC(C)c1c(C(=O)N(C)C)sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c12
InChIKey: GJCGSZLTNPLCBK-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 459.66, ALogP 3.85, HBA 7, HBD 0, PSA 61.8, QED 0.56
Compound (SMILES): CNC(=O)c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1C(C)C
InChIKey: LPJLNHJKEVGNLA-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 445.63, ALogP 3.5, HBA 7, HBD 1, PSA 70.59, QED 0.63
Compound (SMILES): CN(C)C(=O)c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: CMBFPLJSJURHSJ-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 493.68, ALogP 4.39, HBA 7, HBD 0, PSA 61.8, QED 0.43
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3ncnc4sc(C(=O)N(C)C)c(-c5ccccc5)c34)CC2)C1
InChIKey: URAWCBPFFMSGMN-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 492.69, ALogP 3.91, HBA 7, HBD 0, PSA 55.81, QED 0.52
Compound (SMILES): CC(C)NC(=O)c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1cccc(F)c1
InChIKey: HPVVENWWKJGCKQ-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 525.69, ALogP 4.96, HBA 7, HBD 1, PSA 70.59, QED 0.4
Compound (SMILES): CN(C)C(=O)c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1cccc(F)c1
InChIKey: BJUCHHDYJZGEEN-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 511.67, ALogP 4.53, HBA 7, HBD 0, PSA 61.8, QED 0.41
Compound (SMILES): O=C(c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1)N1CCCC1
InChIKey: VUEQZLZANBEDED-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(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: ITPXCSXZSBHYNP-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 4.83, HBA 7, HBD 1, PSA 70.59, QED 0.42
Compound (SMILES): CNC(=O)c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: DRTVUYIFGBDHDH-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 4.05, HBA 7, HBD 1, PSA 70.59, QED 0.49
Compound (SMILES): c1ccc(-c2csc3nccc(N4CCC(COCCN5CCCC5)CC4)c23)cc1
InChIKey: VJSWQCFTSIMJFK-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 5.29, HBA 5, HBD 0, PSA 28.6, QED 0.48
Compound (SMILES): Brc1sc2nccc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: LEXLMDOKCMLTOR-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 500.51, ALogP 6.05, HBA 5, HBD 0, PSA 28.6, QED 0.37
Compound (SMILES): N#Cc1sc2nccc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: GOZJXHZGYZFKIO-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 446.62, ALogP 5.16, HBA 6, HBD 0, PSA 52.39, QED 0.47
Compound (SMILES): c1ccc(-c2csc3nc(N4CCN(CCN5CCCC5)CC4)ncc23)cc1
InChIKey: QDHPBUYNVTWLOB-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 393.56, ALogP 3.58, HBA 6, HBD 0, PSA 35.5, QED 0.66
Compound (SMILES): CN1CCCC1CCNCC1CCN(c2ncc3c(-c4ccccc4)csc3n2)CC1
InChIKey: YJVLWPNEJRMSNN-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): NC(=O)[C@H]1CCCN1CCN1CCN(c2ncc3c(-c4ccccc4)csc3n2)CC1
InChIKey: VYERWXQGHREIFN-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 436.59, ALogP 2.43, HBA 7, HBD 1, PSA 78.59, QED 0.64
Compound (SMILES): c1ccc(-c2csc3nc(N4CCC(COCCN5CCCC5)CC4)ncc23)cc1
InChIKey: OAISYTVEIFLVFW-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 4.69, HBA 6, HBD 0, PSA 41.49, QED 0.52
Compound (SMILES): c1ccc(-c2csc3nc(N4CCC(COCCN5CCCC5)C4)ncc23)cc1
InChIKey: CZNNDLSLLFHWNB-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 0.55
Compound (SMILES): NC(=O)[C@@H]1CCN(CCN2CCN(c3ncc4c(-c5ccccc5)csc4n3)CC2)C1
InChIKey: VZEOEPYUPZGSGI-GOSISDBHSA-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 436.59, ALogP 2.29, HBA 7, HBD 1, PSA 78.59, QED 0.64
Compound (SMILES): F[C@@H]1CCN(CCOCC2CCCCN2c2ncc3c(-c4ccccc4)csc3n2)C1
InChIKey: ZBIQBFOAHJMYMM-FIWHBWSRSA-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 4.78, HBA 6, HBD 0, PSA 41.49, QED 0.49
Compound (SMILES): Fc1ccc(-c2csc3nc(N4CCC(COCCN5CCCC5)CC4)ncc23)cc1
InChIKey: KOOFHOQSWDUGIB-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 440.59, ALogP 4.83, HBA 6, HBD 0, PSA 41.49, QED 0.49
Compound (SMILES): NC(=O)C1CCN(CCOCC2CCN(c3ncc4c(-c5ccccc5)csc4n3)CC2)C1
InChIKey: DVJYHKSBDJXXGV-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): c1ccc(-c2csc3nc(N4CCC(COCCN5CC6CC5CO6)CC4)ncc23)cc1
InChIKey: VZKXKBNHLRABIT-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): CC(=O)Nc1sc2nc(N3CCC(COCCN4CCCC4)CC3)ncc2c1-c1ccccc1
InChIKey: ACIDWYRSUDNYPE-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 479.65, ALogP 4.65, HBA 7, HBD 1, PSA 70.59, QED 0.47
Compound (SMILES): O=C1CCCN1c1sc2nc(N3CCC(COCCN4CCCC4)CC3)ncc2c1-c1ccccc1
InChIKey: SMVFUKPNDPLGOP-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 4.81, HBA 7, HBD 0, PSA 61.8, QED 0.41
Compound (SMILES): CC(C)c1csc2nc(N3CCC(COCCN4CCCC4)CC3)ncc12
InChIKey: AUUJIQRXNQWYRB-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 388.58, ALogP 4.14, HBA 6, HBD 0, PSA 41.49, QED 0.67
Compound (SMILES): CN1CCC(COCC#Cc2ncnc3scc(-c4ccccc4)c23)C1
InChIKey: JZPVSDCHGUNXFS-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 363.49, ALogP 3.68, HBA 5, HBD 0, PSA 38.25, QED 0.52
Compound (SMILES): C(#Cc1ncnc2scc(-c3ccccc3)c12)COCCN1CCCC1
InChIKey: QJOOSBUVMCQIJY-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 363.49, ALogP 3.82, HBA 5, HBD 0, PSA 38.25, QED 0.51
Compound (SMILES): CC(=O)Nc1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: PSGUVQAJTKXALD-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 4.65, HBA 7, HBD 1, PSA 70.59, QED 0.47
Compound (SMILES): O=C1CCCN1c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: IKGCMNHPZQYVDP-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 4.81, HBA 7, HBD 0, PSA 61.8, QED 0.41
Compound (SMILES): c1ccc(-c2csc3ncnc(N4[C@@H]5CC[C@H]4CC(COCCN4CCCC4)C5)c23)cc1
InChIKey: OJUXJOZQCJMATR-XDNSSPFJSA-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 448.64, ALogP 5.22, HBA 6, HBD 0, PSA 41.49, QED 0.46
Compound (SMILES): OCC1CC2CCC(C1)N2c1nc(N2CCOCC2)c2c(-c3ccccc3)csc2n1
InChIKey: MUXRDTRNJAJOPS-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 3.93, HBA 7, HBD 1, PSA 61.72, QED 0.67
Compound (SMILES): CN1CCCC1CCNC(=O)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: LSEQXSISAQPCKJ-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 4.18, HBA 6, HBD 1, PSA 61.36, QED 0.61
Compound (SMILES): N#Cc1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: SLJLHAIPRCWFIV-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 447.61, ALogP 4.56, HBA 7, HBD 0, PSA 65.28, QED 0.49
Compound (SMILES): c1ccc(CNc2sc3ncnc(N4CCC(COCCN5CCCC5)CC4)c3c2-c2ccccc2)cc1
InChIKey: UIQBBSIGNRREGS-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 527.74, ALogP 6.3, HBA 7, HBD 1, PSA 53.52, QED 0.24
Compound (SMILES): CN(C)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: HHWSDWGFYORBGZ-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 338.48, ALogP 3.89, HBA 5, HBD 0, PSA 32.26, QED 0.73
Compound (SMILES): CCc1nc(N2CCC(N(C)C)CC2)c2c(-c3ccccc3)csc2n1
InChIKey: BCJXRCOPBRJRPC-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 366.53, ALogP 4.45, HBA 5, HBD 0, PSA 32.26, QED 0.68
Compound (SMILES): OCCNc1nc(N2CCC(CCO)CC2)c2c(-c3ccc(F)cc3)csc2n1
InChIKey: FBYRSLKMDJHAFF-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 416.52, ALogP 3.5, HBA 7, HBD 3, PSA 81.51, QED 0.55
Compound (SMILES): COCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: ALHUPSVOQRYYMY-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 339.46, ALogP 4.22, HBA 5, HBD 0, PSA 38.25, QED 0.71
Compound (SMILES): COCC1CCN(c2nc(NCCN(C)C)nc3scc(-c4ccccc4)c23)CC1
InChIKey: ZFPRYNQJJCQUDM-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 425.6, ALogP 4.19, HBA 7, HBD 1, PSA 53.52, QED 0.58
Compound (SMILES): COCC1CCN(c2nc(N3CCN(C)CC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: KFEMQTBDGINOPR-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 3.97, HBA 7, HBD 0, PSA 44.73, QED 0.6
Compound (SMILES): COCC1CCN(c2nc(NCCN3CCCC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: OTTQIZROEMEKQE-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 451.64, ALogP 4.73, HBA 7, HBD 1, PSA 53.52, QED 0.53
Compound (SMILES): COc1ccc(C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1
InChIKey: XMWTZDRMYKMZAG-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 401.54, ALogP 5.75, HBA 5, HBD 0, PSA 38.25, QED 0.44
Compound (SMILES): COCC1CCN(c2nc(NCCC3CCCN3C)nc3scc(C4CCCCC4)c23)CC1
InChIKey: UAPXQPZPRQNCEV-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 471.72, ALogP 5.5, HBA 7, HBD 1, PSA 53.52, QED 0.55
Compound (SMILES): c1ccc(COC2CCN(c3ncnc4scc(-c5ccccc5)c34)C2)cc1
InChIKey: HBHXIEUPLSRGFV-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 387.51, ALogP 5.15, HBA 5, HBD 0, PSA 38.25, QED 0.47
Compound (SMILES): CN(C)C1CCN(c2nc(NCCN3CCCC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: KXGDSMPDBXTMJD-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 450.66, ALogP 4.4, HBA 7, HBD 1, PSA 47.53, QED 0.58
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(COc5cccnc5)CC4)c23)cc1
InChIKey: GSFPORYJRAGKBD-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 402.52, ALogP 5.05, HBA 6, HBD 0, PSA 51.14, QED 0.47
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(N5CCCCC5)C4)c23)cc1
InChIKey: WRAWVIZDQVVZKM-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 4.42, HBA 5, HBD 0, PSA 32.26, QED 0.69
Compound (SMILES): COCC1CCN(c2nc(CC(=O)NCCN3CCCC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: CUFXYAFOBGZEGL-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 493.68, ALogP 3.98, HBA 7, HBD 1, PSA 70.59, QED 0.49
Compound (SMILES): COCC1CCN(c2nc(C(=O)CN3CCCC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: OESKNEJFRIYRKQ-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 4.5, HBA 7, HBD 0, PSA 58.56, QED 0.49
Compound (SMILES): COCC1CCN(c2nc(CCN3CCCC3)nc3scc(-c4ccc(F)cc4)c23)CC1
InChIKey: IGKLOXVCJXKCES-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, HBA 6, HBD 0, PSA 41.49, QED 0.5
Compound (SMILES): COCC1CCN(c2nc(N(CCO)CCN3CCCC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: DWZXJUSKADFQLG-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 495.69, ALogP 4.12, HBA 8, HBD 1, PSA 64.96, QED 0.45
Compound (SMILES): OCCN(CCO)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: JBHHBHBGRLHECI-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 412.56, ALogP 2.86, HBA 7, HBD 2, PSA 72.72, QED 0.59
Compound (SMILES): CC(C)NCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: ACYINCUPKUMFBP-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 366.53, ALogP 4.57, HBA 5, HBD 1, PSA 41.05, QED 0.72
Compound (SMILES): CN(C)C1CCN(c2nc(N3CCC(O)C3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: WFSOJGNOHZTGQA-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 3.46, HBA 7, HBD 1, PSA 55.73, QED 0.69
Compound (SMILES): OC1CCN(c2nc(NCCN3CCCC3)nc3scc(-c4ccccc4)c23)C1
InChIKey: OSDPRSJOXTYANX-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 409.56, ALogP 3.44, HBA 7, HBD 2, PSA 64.52, QED 0.65
Compound (SMILES): O[C@H]1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: MEMQJBHRRORDQD-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 6.301000118255615)
Descriptors: MW 394.54, ALogP 3.64, HBA 6, HBD 1, PSA 52.49, QED 0.73
Compound (SMILES): COCC1CCN(c2nc(N3CCC(CO)CC3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: IMTNMPPMACICHP-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 4.43, HBA 7, HBD 1, PSA 61.72, QED 0.6
Compound (SMILES): COCCNCC1CCN(c2nc(N3CCC(COC)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: ZSPWPXNAGYDGHX-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 509.72, ALogP 4.67, HBA 8, HBD 1, PSA 62.75, QED 0.4
Compound (SMILES): COCC1CCN(c2nc(N(C)C3CCN(C)C3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: RNUDRTAVNLAOSQ-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 451.64, ALogP 4.36, HBA 7, HBD 0, PSA 44.73, QED 0.55
Compound (SMILES): COCC1CCN(c2nc(N3CCNCC3)nc3scc(C4CCCCC4)c23)CC1
InChIKey: YGDUTQPPWJAQEV-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 429.63, ALogP 4.01, HBA 7, HBD 1, PSA 53.52, QED 0.78
Compound (SMILES): OC1(CN2CCCC2)CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: NCKCFGAGSKCZNH-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 394.54, ALogP 3.79, HBA 6, HBD 1, PSA 52.49, QED 0.73
Compound (SMILES): CC(C)NCC1CCN(c2ncnc3scc(C4CCCCC4)c23)CC1
InChIKey: VKUZVAMNZJYACE-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 372.58, ALogP 4.95, HBA 5, HBD 1, PSA 41.05, QED 0.81
Compound (SMILES): CC1CN(CC2CCN(c3ncnc4scc(C5CCCCC5)c34)CC2)CC(C)O1
InChIKey: MCOUXDWYTMDGCN-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 428.65, ALogP 5.06, HBA 6, HBD 0, PSA 41.49, QED 0.68
Compound (SMILES): CC1CCN(CC2CC(c3ccccc3)N(c3ncnc4scc(-c5ccccc5)c34)C2)C1
InChIKey: AJYRESWCHINHRV-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 454.64, ALogP 6.27, HBA 5, HBD 0, PSA 32.26, QED 0.36
Compound (SMILES): O=C(Cc1nc(N2CCCC2c2ccccc2)c2c(-c3ccc(F)cc3)csc2n1)NCCN1CCCC1
InChIKey: PRFYUSGJAFUUSN-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 529.69, ALogP 5.59, HBA 6, HBD 1, PSA 61.36, QED 0.32
Compound (SMILES): OC1CCN(CC2CCN(c3ncnc4scc(C5CCCCC5)c34)CC2)C1
InChIKey: CCULIGYIRNPDTK-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 4.02, HBA 6, HBD 1, PSA 52.49, QED 0.84
Compound (SMILES): OCCN(CCO)CC1CCN(c2ncnc3scc(C4CCCCC4)c23)CC1
InChIKey: VQXKHKTVJGTCLF-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 418.61, ALogP 3.24, HBA 7, HBD 2, PSA 72.72, QED 0.69
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: GNUZGIPDSZQXNC-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 4.21, HBA 6, HBD 0, PSA 35.5, QED 0.62
Compound (SMILES): CN(CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1CCOC1
InChIKey: GSISLXKFMHYNDC-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 4.3, HBA 6, HBD 0, PSA 41.49, QED 0.63
Compound (SMILES): CN1CCCC1CCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)C1
InChIKey: IUHQQVBGHOMFGE-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 0.58
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3ncnc4scc(-c5ccccc5)c34)C2)C1
InChIKey: OAGQMQRJPNEZHJ-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 407.59, ALogP 3.82, HBA 6, HBD 0, PSA 35.5, QED 0.64
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CNCCN5CCCC5)CC4)c23)cc1
InChIKey: ZFVGGLXRCKUNAF-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 0.58
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCCC(CNC5CCC5)C4)c23)cc1
InChIKey: XDZMCTJDWAPQQO-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 378.55, ALogP 4.72, HBA 5, HBD 1, PSA 41.05, QED 0.7
Compound (SMILES): CN(C)C1CCCN(CC2CCCN(c3ncnc4scc(-c5ccccc5)c34)C2)C1
InChIKey: ZXAWBFIUQSWZKY-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): CC1CC(CNCCC2CCCN2C)CN1c1ncnc2scc(-c3ccccc3)c12
InChIKey: FRXUNBFPQRPPPQ-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): Cc1csc2ncnc(N3CC(CNCCC4CCCN4C)CC3c3ccccc3)c12
InChIKey: MFCBPEOSHZOUJX-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 4.64, HBA 6, HBD 1, PSA 44.29, QED 0.55
Compound (SMILES): NC1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: UPUBYODLRVJDSY-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 407.59, ALogP 4, HBA 6, HBD 1, PSA 58.28, QED 0.71
Compound (SMILES): FC(F)(F)C1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: RWDIYNFZJCNDCA-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 460.57, ALogP 5.85, HBA 5, HBD 0, PSA 32.26, QED 0.49
Compound (SMILES): O=C1CN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CCN1
InChIKey: LRIQCXMRIZSCHR-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 407.54, ALogP 3.01, HBA 6, HBD 1, PSA 61.36, QED 0.72