lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(NC1CCC(O)CC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: NSAHYWBDCNXFEP-QQNYQPPYSA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 16300 nM (pChEMBL 4.789999961853027)
Descriptors: MW 468.42, ALogP 3.32, HBA 5, HBD 3, PSA 91.32, QED 0.63
Compound (SMILES): O=C(NCC1(O)CCCCC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: PURNWPCHTSAZKZ-OCVGTWLNSA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 9190 nM (pChEMBL 5.039999961853027)
Descriptors: MW 482.44, ALogP 3.71, HBA 5, HBD 3, PSA 91.32, QED 0.6
Compound (SMILES): O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: LOMUBZUTIQZRBB-ATZWAVOESA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 18200 nM (pChEMBL 4.739999771118164)
Descriptors: MW 482.44, ALogP 3.56, HBA 5, HBD 3, PSA 91.32, QED 0.6
Compound (SMILES): O=C(N[C@H]1CC[C@@H](CO)CC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: LOMUBZUTIQZRBB-OIMURUBLSA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 6520 nM (pChEMBL 5.190000057220459)
Descriptors: MW 482.44, ALogP 3.56, HBA 5, HBD 3, PSA 91.32, QED 0.6
Compound (SMILES): O=C(NC1CCNC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: IIOBHXCGPITHPJ-XKWMGWPSSA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 1020 nM (pChEMBL 5.989999771118164)
Descriptors: MW 439.38, ALogP 2.37, HBA 5, HBD 3, PSA 83.12, QED 0.67
Compound (SMILES): CNCCNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: RBCVHTLZDDUSNT-LYIQGSDWSA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 2110 nM (pChEMBL 5.679999828338623)
Descriptors: MW 427.37, ALogP 2.23, HBA 5, HBD 3, PSA 83.12, QED 0.61
Compound (SMILES): CNCCCNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: WILUQYOKTKDCHM-ZMJPVWNMSA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 773 nM (pChEMBL 6.110000133514404)
Descriptors: MW 441.4, ALogP 2.62, HBA 5, HBD 3, PSA 83.12, QED 0.57
Compound (SMILES): O=C(NC1CCCNC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: BECUZOPGDIDRHF-IHZUMSIISA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 354 nM (pChEMBL 6.449999809265137)
Descriptors: MW 453.41, ALogP 2.76, HBA 5, HBD 3, PSA 83.12, QED 0.66
Compound (SMILES): O=C(NCC1CCCN1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: VSXZBCGBSBMNNA-IHZUMSIISA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 479 nM (pChEMBL 6.320000171661377)
Descriptors: MW 453.41, ALogP 2.76, HBA 5, HBD 3, PSA 83.12, QED 0.64
Compound (SMILES): O=C(NCC1CCCCN1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: XDYRQHJULFEGIG-GJRKROPISA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 262 nM (pChEMBL 6.579999923706055)
Descriptors: MW 467.43, ALogP 3.15, HBA 5, HBD 3, PSA 83.12, QED 0.62
Compound (SMILES): O=C(NCC1CCCNC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: UQZKYYHRQXEUPM-GJRKROPISA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 339 nM (pChEMBL 6.46999979019165)
Descriptors: MW 467.43, ALogP 3.01, HBA 5, HBD 3, PSA 83.12, QED 0.62
Compound (SMILES): O=C(NC1CNC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
InChIKey: XILTXBQGUNSBBC-LYIQGSDWSA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 2290 nM (pChEMBL 5.639999866485596)
Descriptors: MW 425.35, ALogP 1.98, HBA 5, HBD 3, PSA 83.12, QED 0.69
Compound (SMILES): NC[C@H]1CC[C@@H](NC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
InChIKey: MYLXBPBYSLWELK-RPNQKPKCSA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 1150 nM (pChEMBL 5.940000057220459)
Descriptors: MW 472.43, ALogP 3.85, HBA 3, HBD 3, PSA 84.22, QED 0.57
Compound (SMILES): NC[C@H]1CC[C@H](NC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
InChIKey: MYLXBPBYSLWELK-RSXXEETQSA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 472.43, ALogP 3.85, HBA 3, HBD 3, PSA 84.22, QED 0.57
Compound (SMILES): Cl.O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(C(F)(F)F)nc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: OLWXBYQKFKLRMR-MPKKIQEPSA-N
Target: N-formyl peptide receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25089
Assay: Agonist activity at human recombinant FPRL2 receptor expressed in HEK293 cells co-expressing G-protein Galpha16 assessed as effect on calcium response by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 = 99 nM (pChEMBL 7)
Descriptors: MW 476.54, ALogP 3.86, HBA 4, HBD 2, PSA 74.33, QED 0.44
Compound (SMILES): O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(Oc2ccccc2)C1
InChIKey: USLSUKRZLZOLHO-UHFFFAOYSA-N
Target: Pyruvate kinase PKLR (SINGLE PROTEIN), Homo sapiens
UniProt: P30613
Assay: Activation of wild type PKR (unknown origin) using PEP as substrate preincubated with substrate for 60 mins followed by ADP addition by microplate reader analysis
Measurement: AC50 = 101 nM (pChEMBL 7)
Descriptors: MW 459.53, ALogP 3.94, HBA 5, HBD 1, PSA 88.6, QED 0.47
Compound (SMILES): O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(O)(Cc2ccccc2)C1
InChIKey: LBPCXFWYJJZAOO-UHFFFAOYSA-N
Target: Pyruvate kinase PKM (SINGLE PROTEIN), Homo sapiens
UniProt: P14618
Assay: Activation of PKM2 (unknown origin)
Measurement: EC50 < 100 nM (pChEMBL 7)
Descriptors: MW 473.55, ALogP 3.47, HBA 5, HBD 2, PSA 99.6, QED 0.45
Compound (SMILES): Cc1cc(C(=O)N2CC(NC(=O)c3ccccn3)C2)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIKey: XVXKYFXKWDRQFP-UHFFFAOYSA-N
Target: Pyruvate kinase PKLR (SINGLE PROTEIN), Homo sapiens
UniProt: P30613
Assay: Activation of wild type PKR (unknown origin) using PEP as substrate preincubated with substrate for 60 mins followed by ADP addition by microplate reader analysis
Measurement: AC50 = 101 nM (pChEMBL 7)
Descriptors: MW 501.57, ALogP 2.99, HBA 6, HBD 2, PSA 121.36, QED 0.42
Compound (SMILES): Cc1cc(C(=O)N2CC(Oc3ccccc3)C2)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIKey: JEJVORFOOWSASF-UHFFFAOYSA-N
Target: Pyruvate kinase PKLR (SINGLE PROTEIN), Homo sapiens
UniProt: P30613
Assay: Activation of wild type PKR (unknown origin) using PEP as substrate preincubated with substrate for 60 mins followed by ADP addition by microplate reader analysis
Measurement: AC50 < 100 nM (pChEMBL 7)
Descriptors: MW 473.55, ALogP 4.25, HBA 5, HBD 1, PSA 88.6, QED 0.45
Compound (SMILES): O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(OCc2ccccc2)C1
InChIKey: CXRRMLRMCACVGF-UHFFFAOYSA-N
Target: Pyruvate kinase PKLR (SINGLE PROTEIN), Homo sapiens
UniProt: P30613
Assay: Activation of wild type PKR (unknown origin) using PEP as substrate preincubated with substrate for 60 mins followed by ADP addition by microplate reader analysis
Measurement: AC50 = 101 nM (pChEMBL 7)
Descriptors: MW 473.55, ALogP 4.08, HBA 5, HBD 1, PSA 88.6, QED 0.44
Compound (SMILES): O=C(NC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1)c1ccccn1
InChIKey: DHASFBVZFCXQHQ-UHFFFAOYSA-N
Target: Pyruvate kinase PKLR (SINGLE PROTEIN), Homo sapiens
UniProt: P30613
Assay: Activation of wild type PKR (unknown origin) using PEP as substrate preincubated with substrate for 60 mins followed by ADP addition by microplate reader analysis
Measurement: AC50 > 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 487.54, ALogP 2.69, HBA 6, HBD 2, PSA 121.36, QED 0.43
Compound (SMILES): O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CC(Nc2ccccc2)C1
InChIKey: DZKHFVUOCMZLEU-UHFFFAOYSA-N
Target: Pyruvate kinase PKLR (SINGLE PROTEIN), Homo sapiens
UniProt: P30613
Assay: Activation of wild type PKR (unknown origin) using PEP as substrate preincubated with substrate for 60 mins followed by ADP addition by microplate reader analysis
Measurement: AC50 > 500 nM (pChEMBL 6.301000118255615)
Descriptors: MW 476.53, ALogP 4.11, HBA 5, HBD 2, PSA 91.4, QED 0.44
Compound (SMILES): O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(O)(c2ccccc2)C1
InChIKey: DJGJQGXVWAMSCJ-UHFFFAOYSA-N
Target: Pyruvate kinase PKLR (SINGLE PROTEIN), Homo sapiens
UniProt: P30613
Assay: Activation of wild type PKR (unknown origin) using PEP as substrate preincubated with substrate for 60 mins followed by ADP addition by microplate reader analysis
Measurement: AC50 = 101 nM (pChEMBL 7)
Descriptors: MW 459.53, ALogP 3.38, HBA 5, HBD 2, PSA 99.6, QED 0.48
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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat Kir3.1/Kir3.4 expressed in HEK293 cells assessed as reduction 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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: P48548
Assay: Inhibition of rat 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
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCNC(C(N)=O)C3)nc(N3C4CCC3CC(OC)C4)c12
InChIKey: XMLKRYXMDIVNBY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 508.65, ALogP 2.78, HBA 9, HBD 2, PSA 105.84, QED 0.52
Compound (SMILES): COCC1CC2CCC(C1)N2c1nc(N2C3CCC2COC3)c2c(-c3ccccc3OC)csc2n1
InChIKey: GSWXVFOSDIAENV-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 5.13, HBA 8, HBD 0, PSA 59.95, QED 0.46
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCC(C(N)=O)C3)nc(N3C4CCC3CC(OC)C4)c12
InChIKey: NGJZXISYPOKAGU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 493.63, ALogP 3.82, HBA 8, HBD 1, PSA 93.81, QED 0.56
Compound (SMILES): COc1ccccc1-c1csc2nc(N3C4CCC3CC(OC)C4)nc(N3C4CCC3COC4)c12
InChIKey: OUZRZELEXSKOEU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 492.65, ALogP 4.88, HBA 8, HBD 0, PSA 59.95, QED 0.5
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCNC(C(N)=O)C3)nc(N3C4CCC3COC4)c12
InChIKey: RDUGMRLHSXAJDW-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 480.59, ALogP 2, HBA 9, HBD 2, PSA 105.84, QED 0.57
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCCC(C(N)=O)C3)nc(N3C4CCC3COC4)c12
InChIKey: JSEDTJAWDPAQLA-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 479.61, ALogP 3.44, HBA 8, HBD 1, PSA 93.81, QED 0.6
Compound (SMILES): COc1ccccc1-c1csc2nc(N3C4CCC3CC(O)C4)nc(N3C4CCC3COC4)c12
InChIKey: FHDODXCOAGILSM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 478.62, ALogP 4.23, HBA 8, HBD 1, PSA 70.95, QED 0.6
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCC(C(N)=O)C3)nc(N3C4CCC3COC4)c12
InChIKey: KTJBYVUJMWEDGF-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 465.58, ALogP 3.05, HBA 8, HBD 1, PSA 93.81, QED 0.62
Compound (SMILES): COc1ccccc1-c1csc2nc(N3C4CCC3COC4)nc(N3C4CCC3COC4)c12
InChIKey: NMSXKVNIFDRMMO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 464.59, ALogP 4.1, HBA 8, HBD 0, PSA 59.95, QED 0.58
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCNC(=O)C3)nc(N3C4CCC3COC4)c12
InChIKey: SYYLIJVXWMQDLD-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 451.55, ALogP 2.67, HBA 8, HBD 1, PSA 79.82, QED 0.65
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCC(O)C3)nc(N3C4CCC3COC4)c12
InChIKey: NOWYEZGFXJFUIU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 438.55, ALogP 3.31, HBA 8, HBD 1, PSA 70.95, QED 0.67
Compound (SMILES): COc1ccccc1-c1csc2nc(C#N)nc(N3C4CCC3CC(OC)C4)c12
InChIKey: QRTDHETUOMLPCO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 406.51, ALogP 4.38, HBA 7, HBD 0, PSA 71.27, QED 0.64
Compound (SMILES): COCC1CC2CCC(C1)N2c1nc(C#N)nc2scc(-c3ccccc3OC)c12
InChIKey: YLAMTIVFFOKICM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 420.54, ALogP 4.63, HBA 7, HBD 0, PSA 71.27, QED 0.6
Compound (SMILES): COc1ccccc1-c1csc2nc(N3C4CCC3CC(OC)C4)nc(N3C4CCC3CC(OC)C4)c12
InChIKey: UFTOSKQLUPNMNR-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 5.66, HBA 8, HBD 0, PSA 59.95, QED 0.42
Compound (SMILES): COC1CC2CCC(C1)N2c1nc(N2CCOC(C(N)=O)C2)nc2scc(-c3ccccc3Cl)c12
InChIKey: DUYXYSDCHHVARC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 514.05, ALogP 3.85, HBA 8, HBD 1, PSA 93.81, QED 0.55
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCOC(C(N)=O)C3)nc(N3C4CCC3CC(OC)C4)c12
InChIKey: AEUAYRDWDYTYDL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 509.63, ALogP 3.2, HBA 9, HBD 1, PSA 103.04, QED 0.54
Compound (SMILES): NC(=O)C1CCCN(c2nc(N3C4CCC3COC4)c3c(-c4ccccc4Cl)csc3n2)C1
InChIKey: ZMYLTWRGTKELPC-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 4.08, HBA 7, HBD 1, PSA 84.58, QED 0.6
Compound (SMILES): NC(=O)C1CCCN(c2nc(N3C4CCC3COC4)nc3scc(-c4ccccc4Cl)c23)C1
InChIKey: WXBDDEVFXGRCOL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 4.08, HBA 7, HBD 1, PSA 84.58, QED 0.6
Compound (SMILES): NC(=O)C1CCN(c2nc(N3C4CCC3CC(O)C4)nc3scc(-c4ccccc4Cl)c23)C1
InChIKey: FDOIAEULPIRXEF-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 3.82, HBA 7, HBD 2, PSA 95.58, QED 0.59
Compound (SMILES): COc1ccccc1-c1csc2nc(N3C4CCC3CC(CO)C4)nc(N3CCNC(=O)C3)c12
InChIKey: BGUZONSTLDAXQQ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 3.04, HBA 8, HBD 2, PSA 90.82, QED 0.58
Compound (SMILES): COc1ccccc1-c1csc2nc(N3C4CCC3CC(O)C4)nc(N3CCC(C(N)=O)C3)c12
InChIKey: LCDRNCPMNGIUGY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 479.61, ALogP 3.17, HBA 8, HBD 2, PSA 104.81, QED 0.58
Compound (SMILES): NC(=O)C1CCN(c2nc(N3C4CCC3COC4)nc3scc(-c4ccccc4Cl)c23)C1
InChIKey: LZLPGRRJHQIVAW-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 470, ALogP 3.69, HBA 7, HBD 1, PSA 84.58, QED 0.63
Compound (SMILES): NC(=O)C1CN(c2nc(N3C4CCC3COC4)c3c(-c4ccccc4Cl)csc3n2)CCN1
InChIKey: YEYBLTBFYKGJRD-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 485.01, ALogP 2.64, HBA 8, HBD 2, PSA 96.61, QED 0.59
Compound (SMILES): NC(=O)C1CN(c2nc(N3C4CCC3COC4)nc3scc(-c4ccccc4Cl)c23)CCN1
InChIKey: NPWREBNEFHADSO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 485.01, ALogP 2.64, HBA 8, HBD 2, PSA 96.61, QED 0.59
Compound (SMILES): COc1ccccc1-c1csc2nc(N3CCOC(C(N)=O)C3)nc(N3C4CCC3COC4)c12
InChIKey: CGAAAAIXPBDUCL-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 481.58, ALogP 2.43, HBA 9, HBD 1, PSA 103.04, QED 0.59
Compound (SMILES): COc1ccccc1-c1csc2nc(N3C4CCC3COC4)nc(N3CCOC(C(N)=O)C3)c12
InChIKey: TUZUMSRHOXJSQZ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P48548
Assay: Inhibition of rat 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 481.58, ALogP 2.43, HBA 9, HBD 1, PSA 103.04, QED 0.59