lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)(CN)CNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: NVHUBNIPRZMOGU-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 = 1630 nM (pChEMBL 5.789999961853027)
Descriptors: MW 453.41, ALogP 2.77, HBA 5, HBD 3, PSA 97.11, QED 0.58
Compound (SMILES): CNCCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: YHHHHIRGSYXODQ-XMTFNYHQSA-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 = 2050 nM (pChEMBL 5.690000057220459)
Descriptors: MW 432.36, ALogP 2.23, HBA 3, HBD 3, PSA 70.23, QED 0.46
Compound (SMILES): O=C(NC1CCNCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: XRVZUGYKWAKPCX-MTQWCTHYSA-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 = 2760 nM (pChEMBL 5.559999942779541)
Descriptors: MW 458.4, ALogP 2.76, HBA 3, HBD 3, PSA 70.23, QED 0.59
Compound (SMILES): NCCCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: RMSCGHHOYFJGDJ-XMTFNYHQSA-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 = 2640 nM (pChEMBL 5.579999923706055)
Descriptors: MW 432.36, ALogP 2.36, HBA 3, HBD 3, PSA 84.22, QED 0.46
Compound (SMILES): NCc1cccc(CNC(=O)[C@H]2[C@H](C(=O)NCc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)c1
InChIKey: LQGFLBGVHFBMBH-WBADGQHESA-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 = 493 nM (pChEMBL 6.309999942779541)
Descriptors: MW 494.43, ALogP 3.67, HBA 3, HBD 3, PSA 84.22, QED 0.51
Compound (SMILES): NCc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)cc1
InChIKey: LQLCCPIJVCCCDZ-KAOXLYBCSA-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 = 1340 nM (pChEMBL 5.869999885559082)
Descriptors: MW 494.43, ALogP 3.67, HBA 3, HBD 3, PSA 84.22, QED 0.51
Compound (SMILES): CC(C)(CN)CNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: CKYVVFHKUHKNAC-WJFTUGDTSA-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 = 466 nM (pChEMBL 6.329999923706055)
Descriptors: MW 460.42, ALogP 2.99, HBA 3, HBD 3, PSA 84.22, QED 0.55
Compound (SMILES): O=C(NCC1CCNCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: CCQQFIYVDFKLBI-DOIPELPJSA-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 = 1170 nM (pChEMBL 5.929999828338623)
Descriptors: MW 472.43, ALogP 3.01, HBA 3, HBD 3, PSA 70.23, QED 0.56
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2cnc(Br)s2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: DWCFMSPSZNUHTH-FCGDIQPGSA-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 = 208 nM (pChEMBL 6.679999828338623)
Descriptors: MW 507.5, ALogP 3.34, HBA 5, HBD 2, PSA 74.33, QED 0.4
Compound (SMILES): Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)NCCC(N)=O)[C@H]3C=C[C@@H]2C32CC2)nc1
InChIKey: AXAUYLIQBGTNNJ-DLTLXFJOSA-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 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 368.44, ALogP 1.15, HBA 4, HBD 3, PSA 114.18, QED 0.65
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2cc(F)c(Br)cc2F)[C@@H]2C=C[C@H]1C21CC1
InChIKey: PVYMAUKDGVULHQ-FHTPNYMGSA-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 = 204 nM (pChEMBL 6.690000057220459)
Descriptors: MW 522.43, ALogP 4.49, HBA 3, HBD 2, PSA 61.44, QED 0.3
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2c(F)cc(Br)cc2F)[C@@H]2C=C[C@H]1C21CC1
InChIKey: DFLVAKILSDFDAW-HRQSHJORSA-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 = 296 nM (pChEMBL 6.53000020980835)
Descriptors: MW 522.43, ALogP 4.49, HBA 3, HBD 2, PSA 61.44, QED 0.39
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)c(F)c2F)[C@@H]2C=C[C@H]1C21CC1
InChIKey: WWRXWEWWZODLNF-WOUAJJJCSA-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 = 122 nM (pChEMBL 6.909999847412109)
Descriptors: MW 522.43, ALogP 4.49, HBA 3, HBD 2, PSA 61.44, QED 0.3
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2c(F)cc(Br)cc2F)[C@@H]2C=C[C@H]1C21CC1
InChIKey: LRPOHKSKKATRHW-IYRWYFENSA-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 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 536.46, ALogP 4.16, HBA 3, HBD 2, PSA 61.44, QED 0.37
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2F)[C@@H]2CC[C@H]1C21CC1
InChIKey: MJVFDIZXGPJFDO-IRMYBRCSSA-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 = 18 nM (pChEMBL 7.75)
Descriptors: MW 520.49, ALogP 4.25, HBA 3, HBD 2, PSA 61.44, QED 0.48
Compound (SMILES): NCCCCCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2F)[C@@H]2C=C[C@H]1C21CC1
InChIKey: SDNITIKYBSZBOK-PIKOESSRSA-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 = 331 nM (pChEMBL 6.480000019073486)
Descriptors: MW 478.41, ALogP 3.28, HBA 3, HBD 3, PSA 84.22, QED 0.38
Compound (SMILES): NCCCCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2F)[C@@H]2C=C[C@H]1C21CC1
InChIKey: KUFCKGBEGIKQEV-UKBAYJJMSA-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 = 472 nM (pChEMBL 6.329999923706055)
Descriptors: MW 464.38, ALogP 2.89, HBA 3, HBD 3, PSA 84.22, QED 0.41
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)c(F)c2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: RDAIPLUEAVCBGB-IYRWYFENSA-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 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 518.47, ALogP 4.03, HBA 3, HBD 2, PSA 61.44, QED 0.38
Compound (SMILES): c1ccc(CNc2sc3ncnc(N4CCC(COCCN5CCCC5)CC4)c3c2-c2ccccc2)cc1
InChIKey: UIQBBSIGNRREGS-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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 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: 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 421.61, 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: 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 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: 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 421.61, 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: 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 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: 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 421.61, 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: 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 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: 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 435.64, 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: 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 435.64, 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: 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 435.64, 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: 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 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: 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 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: 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 407.54, ALogP 3.01, HBA 6, HBD 1, PSA 61.36, QED 0.72
Compound (SMILES): CN1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: FKRIZOJRJUOFTF-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 407.59, ALogP 3.82, HBA 6, HBD 0, PSA 35.5, QED 0.66
Compound (SMILES): CN(C)[C@H]1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: HEEOIBYZNWLVMI-NRFANRHFSA-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 435.64, ALogP 4.6, HBA 6, HBD 0, PSA 35.5, QED 0.59
Compound (SMILES): CN(C)[C@@H]1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: HEEOIBYZNWLVMI-OAQYLSRUSA-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 435.64, ALogP 4.6, HBA 6, HBD 0, PSA 35.5, QED 0.59
Compound (SMILES): CN(C)CCCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: GSIHYSDTQQLLMX-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 409.6, ALogP 4.12, HBA 6, HBD 1, PSA 44.29, QED 0.57
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(CN5CCC(N6CCCCC6)C5)CC4)c23)cc1
InChIKey: HSZGBCCQHNLZEI-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 461.68, ALogP 5.13, HBA 6, HBD 0, PSA 35.5, QED 0.53
Compound (SMILES): CN1CCCC1CCNCC1CN(c2ncnc3scc(-c4ccccc4)c23)C1
InChIKey: AURQYWVQGSCCSA-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 407.59, ALogP 3.87, HBA 6, HBD 1, PSA 44.29, QED 0.6
Compound (SMILES): Cc1sc2ncnc(N3CCC(CNCCC4CCCN4C)CC3)c2c1C
InChIKey: PGSKSHLWEYDDEQ-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 387.6, ALogP 3.6, HBA 6, HBD 1, PSA 44.29, QED 0.77
Compound (SMILES): Cn1ccnc1CCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: NLPGAUNXSRSLHG-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 432.6, ALogP 4.14, HBA 7, HBD 1, PSA 58.87, QED 0.44
Compound (SMILES): CN(C)C1CCN(C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: GUBGMFZKLILATO-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 421.61, ALogP 4.35, HBA 6, HBD 0, PSA 35.5, QED 0.63
Compound (SMILES): CN1CCC(NC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: FZUATRLORULVME-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 407.59, ALogP 4.01, HBA 6, HBD 1, PSA 44.29, QED 0.71
Compound (SMILES): CN(C)CCN(C)CC1CCN(c2nc(N3CCC(C(N)=O)C3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: FTVLWTPTZVOACU-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 521.74, ALogP 3.38, HBA 8, HBD 1, PSA 81.83, QED 0.46
Compound (SMILES): CC(=O)NC1CCN(c2nc(N3CCC(CN(C)C4CCN(C)C4)CC3)c3c(-c4ccccc4)csc3n2)C1
InChIKey: ZUMVEPKZDXTGAW-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 547.77, ALogP 3.93, HBA 8, HBD 1, PSA 67.84, QED 0.48
Compound (SMILES): CNC(=O)C1CCCN(c2nc(N3CCC(CN(C)C4CCN(C)C4)CC3)c3c(-c4ccccc4)csc3n2)C1
InChIKey: JOAJMHFDGZFGAL-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 561.8, ALogP 4.17, HBA 8, HBD 1, PSA 67.84, QED 0.46
Compound (SMILES): CCN(CC)C(=O)C1CCCN(c2nc(N3CCC(CN(C)C4CCN(C)C4)CC3)c3c(-c4ccccc4)csc3n2)C1
InChIKey: JLMVLYYCQLMTCP-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 603.88, ALogP 5.3, HBA 8, HBD 0, PSA 59.05, QED 0.33
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N4CCC[C@@H]4C(N)=O)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: BXQIJEWXGSNMPH-SYIFMXBLSA-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 533.75, ALogP 3.66, HBA 8, HBD 1, PSA 81.83, QED 0.5
Compound (SMILES): CN1CCN(C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: BBSWQIVYRACLJV-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 393.56, ALogP 3.57, HBA 6, HBD 0, PSA 35.5, QED 0.68
Compound (SMILES): CN1CCC(N(C)C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: ZCRUVXCLPLTGEX-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 407.59, ALogP 3.96, HBA 6, HBD 0, PSA 35.5, QED 0.65
Compound (SMILES): Cc1sc2ncnc(N3CCC(CNC4CCN(C)CC4)CC3)c2c1C
InChIKey: OVHKUCAOQFNLCM-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 373.57, ALogP 3.21, HBA 6, HBD 1, PSA 44.29, QED 0.89
Compound (SMILES): Cc1sc2ncnc(N3CCC(CNCCC4CCCCN4C)CC3)c2c1C
InChIKey: FLYIZUDEYXJSEO-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 401.62, ALogP 3.99, HBA 6, HBD 1, PSA 44.29, QED 0.74
Compound (SMILES): Cc1sc2ncnc(N3CCC(CN4CCCC(N(C)C)C4)CC3)c2c1C
InChIKey: UEGIHDIUMDOJAK-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 387.6, ALogP 3.55, HBA 6, HBD 0, PSA 35.5, QED 0.8
Compound (SMILES): CN(C)C1CCN(CC2CCN(c3nc(N4CCC(C(N)=O)C4)nc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: MKYOWSAWQXJQOW-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 547.77, ALogP 3.91, HBA 8, HBD 1, PSA 81.83, QED 0.48
Compound (SMILES): CN(C)[C@@H]1CCN(CC2CCN(c3nc(N4CCC(C(N)=O)C4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: DRDCECDCZJUZJG-OZAIVSQSSA-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 533.75, ALogP 3.52, HBA 8, HBD 1, PSA 81.83, QED 0.5
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N4CC(C(N)=O)C4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: CNIFHZLBDVIVMR-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 3.13, HBA 8, HBD 1, PSA 81.83, QED 0.51
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N4CCCC(C(N)=O)C4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: VMROUOREXJMAKQ-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 547.77, ALogP 3.91, HBA 8, HBD 1, PSA 81.83, QED 0.48
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3nc(N4CCC(C(N)=O)CC4)nc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: GYDUVUGSLVJPFX-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 547.77, ALogP 3.91, HBA 8, HBD 1, PSA 81.83, QED 0.48
Compound (SMILES): Cc1sc2nc(N3CCC(C(N)=O)C3)nc(N3CCC(CNCCC4CCCCN4C)CC3)c2c1C
InChIKey: ZKMYMZXODGHJQG-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 513.76, ALogP 3.3, HBA 8, HBD 2, PSA 90.62, QED 0.52
Compound (SMILES): CC(=O)N(C)C1CCN(c2nc(N3CCC(CN(C)C4CCN(C)C4)CC3)c3c(-c4ccccc4)csc3n2)CC1
InChIKey: UYEGIUYKSFELSX-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 575.83, ALogP 4.66, HBA 8, HBD 0, PSA 59.05, QED 0.41
Compound (SMILES): CC(C)c1csc2ncnc(N3CCC(CNCCC4CCCN4C)CC3)c12
InChIKey: RTZXYTRAGGSFMQ-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 401.62, ALogP 4.11, HBA 6, HBD 1, PSA 44.29, QED 0.71
Compound (SMILES): Cc1csc2ncnc(N3CCC(CNCCC4CCCN4C)CC3)c12
InChIKey: LTYZWYKLJMEIAN-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 373.57, ALogP 3.29, HBA 6, HBD 1, PSA 44.29, QED 0.79