lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2cc(C(F)(F)F)ccc2F)[C@@H]2C=C[C@H]1C21CC1
InChIKey: XBBJFQULYZUOPU-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 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 507.57, ALogP 4.28, HBA 3, HBD 2, PSA 61.44, QED 0.3
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: DJQIIPMLAPYATJ-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 = 366 nM (pChEMBL 6.440000057220459)
Descriptors: MW 507.57, ALogP 4.28, HBA 3, HBD 2, PSA 61.44, QED 0.3
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2cc(Cl)nc(Cl)c2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: YGNXMRMMSFCQLY-GMQQQROESA-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 = 644 nM (pChEMBL 6.190000057220459)
Descriptors: MW 491.46, ALogP 3.83, HBA 4, HBD 2, PSA 74.33, QED 0.31
Compound (SMILES): Cc1ccc(C)c(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)c1
InChIKey: ARCXDGPPQNKKNF-ZFFYZDHPSA-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 = 255 nM (pChEMBL 6.590000152587891)
Descriptors: MW 449.64, ALogP 3.74, HBA 3, HBD 2, PSA 61.44, QED 0.45
Compound (SMILES): Cc1nc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)sc1C
InChIKey: DGPAOPQUGYCMLX-IYWMVGAKSA-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 442.63, ALogP 3.52, HBA 5, HBD 2, PSA 74.33, QED 0.48
Compound (SMILES): COc1ccc(C)cc1CNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: OZCMUQOBXOGTIS-PEISPCAHSA-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 = 180 nM (pChEMBL 6.75)
Descriptors: MW 465.64, ALogP 3.44, HBA 4, HBD 2, PSA 70.67, QED 0.41
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2c(F)ccc(F)c2Cl)[C@@H]2C=C[C@H]1C21CC1
InChIKey: DEDPAOPYAZGMGX-GMQQQROESA-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 = 271 nM (pChEMBL 6.570000171661377)
Descriptors: MW 492.01, ALogP 4.06, HBA 3, HBD 2, PSA 61.44, QED 0.31
Compound (SMILES): CC(C)Oc1ccccc1CNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
InChIKey: HHYPFGGNTOKGJH-PZXVYJQKSA-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 = 389 nM (pChEMBL 6.409999847412109)
Descriptors: MW 479.67, ALogP 3.91, HBA 4, HBD 2, PSA 70.67, QED 0.37
Compound (SMILES): Cc1ccc(F)c(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)c1Cl
InChIKey: KCROTBHDNXBDMW-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 = 478 nM (pChEMBL 6.320000171661377)
Descriptors: MW 488.05, ALogP 4.22, HBA 3, HBD 2, PSA 61.44, QED 0.4
Compound (SMILES): COc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1Cl.O=CO
InChIKey: JTSPZWIQVWGFNU-ZBIVHNQWSA-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 = 237 nM (pChEMBL 6.619999885559082)
Descriptors: MW 486.06, ALogP 3.79, HBA 4, HBD 2, PSA 70.67, QED 0.39
Compound (SMILES): COc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1OC.O=CO
InChIKey: MAPVZWNQNAFXNH-OIJWZCBCSA-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 = 443 nM (pChEMBL 6.349999904632568)
Descriptors: MW 481.64, ALogP 3.14, HBA 5, HBD 2, PSA 79.9, QED 0.38
Compound (SMILES): COc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)c(OC)c1.O=CO
InChIKey: CEJXZTSOFAIGNT-HXVAEXSLSA-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 = 334 nM (pChEMBL 6.480000019073486)
Descriptors: MW 481.64, ALogP 3.14, HBA 5, HBD 2, PSA 79.9, QED 0.38
Compound (SMILES): COc1ccc(CCNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1OC
InChIKey: BIYZFYVOOLIHDQ-USXZWKKNSA-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 = 417 nM (pChEMBL 6.380000114440918)
Descriptors: MW 495.66, ALogP 3.18, HBA 5, HBD 2, PSA 79.9, QED 0.34
Compound (SMILES): COc1ccc(CCNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1.O=CO
InChIKey: JZSSPEZRYUWQKF-AVHAYRAPSA-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 = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 465.64, ALogP 3.17, HBA 4, HBD 2, PSA 70.67, QED 0.39
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1.O=CO
InChIKey: BNFZKZYDJKVHGM-NVGWGOIQSA-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 = 6.6 nM (pChEMBL 8.180000305175781)
Descriptors: MW 514.51, ALogP 3.93, HBA 3, HBD 2, PSA 61.44, QED 0.37
Compound (SMILES): Cc1ccc(CCNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1C.O=CO
InChIKey: ZVBMJSXPALHZQG-QJRGHEQESA-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 = 103 nM (pChEMBL 6.989999771118164)
Descriptors: MW 463.67, ALogP 3.78, HBA 3, HBD 2, PSA 61.44, QED 0.41
Compound (SMILES): Cc1ccc(CCNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1.O=CO
InChIKey: CHFQNAZQSYMHPL-AVHAYRAPSA-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 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 449.64, ALogP 3.47, HBA 3, HBD 2, PSA 61.44, QED 0.42
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCc2ccc(F)cc2)[C@@H]2C=C[C@H]1C21CC1.O=CO
InChIKey: QQFYWCFCEQIRHF-NVGWGOIQSA-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 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 453.6, ALogP 3.31, HBA 3, HBD 2, PSA 61.44, QED 0.42
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCc2ccc3c(c2)OCO3)[C@@H]2C=C[C@H]1C21CC1.O=CO
InChIKey: ZKYCZCCUOPLKHV-OIJWZCBCSA-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 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 479.62, ALogP 2.89, HBA 5, HBD 2, PSA 79.9, QED 0.4
Compound (SMILES): COc1ccc(CCNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1Br.O=CO
InChIKey: PTGHRPIBWSQNOT-OIJWZCBCSA-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 = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 544.53, ALogP 3.94, HBA 4, HBD 2, PSA 70.67, QED 0.33
Compound (SMILES): Cc1ccc(CCNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)c(C)c1.O=CO
InChIKey: GXASPHPRWVNSNE-QJRGHEQESA-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 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 463.67, ALogP 3.78, HBA 3, HBD 2, PSA 61.44, QED 0.41
Compound (SMILES): CCOc1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1.O=CO
InChIKey: WGBDDPSPYJFYNK-AVHAYRAPSA-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 = 254 nM (pChEMBL 6.590000152587891)
Descriptors: MW 465.64, ALogP 3.52, HBA 4, HBD 2, PSA 70.67, QED 0.39
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: DHEZTZGQZDUZDE-UEQSERJNSA-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 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 470.06, ALogP 3.82, HBA 3, HBD 2, PSA 61.44, QED 0.4
Compound (SMILES): CN(C)CCNC(=O)[C@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: RBIXOHBYJGDYBV-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 = 623 nM (pChEMBL 6.210000038146973)
Descriptors: MW 415.97, ALogP 2.5, HBA 3, HBD 2, PSA 61.44, QED 0.64
Compound (SMILES): O=C(NCCc1ccccn1)[C@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2)[C@@H]2C=C[C@H]1C21CC1
InChIKey: YTMLPIOLPSVXOM-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 = 554 nM (pChEMBL 6.260000228881836)
Descriptors: MW 449.98, ALogP 3.58, HBA 3, HBD 2, PSA 71.09, QED 0.6
Compound (SMILES): NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]3C=C[C@H]2C32CC2)cc1
InChIKey: MHWQVXQFGXHTLU-OLKYXYMISA-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 = 576 nM (pChEMBL 6.239999771118164)
Descriptors: MW 528.07, ALogP 2.83, HBA 4, HBD 3, PSA 118.36, QED 0.43
Compound (SMILES): O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)[C@@H]2C=C[C@H]1C21CC1
InChIKey: IPFWHVBSLPSAGT-CBJLPSGESA-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 = 3.8 nM (pChEMBL 8.420000076293945)
Descriptors: MW 504.5, ALogP 4.47, HBA 3, HBD 2, PSA 61.44, QED 0.37
Compound (SMILES): CC(C)CCN1CCC(NC(=O)[C@H]2[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
InChIKey: UUWLNDTXRNCWBD-BKKFENPESA-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 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 498.11, ALogP 4.45, HBA 3, HBD 2, PSA 61.44, QED 0.5
Compound (SMILES): CC(=O)NC1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
InChIKey: RHHZYCCEMRAHJH-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 3.79, HBA 6, HBD 1, PSA 61.36, QED 0.66
Compound (SMILES): C[C@@H](CN(C)C)OCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: TYXLKVKHKLXNNY-KRWDZBQOSA-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 410.59, ALogP 4.54, HBA 6, HBD 0, PSA 41.49, QED 0.57
Compound (SMILES): CN1CCCC1CCOCC1CCN(c2nc(N3CCC(C(N)=O)C3)nc3scc(-c4ccccc4)c23)CC1
InChIKey: IICKMCXHTPRSND-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 548.76, ALogP 4.39, HBA 8, HBD 1, PSA 87.82, QED 0.4
Compound (SMILES): NC(=O)C1CCN(c2nc(N3CCC(COCCN4CCCC4)CC3)c3c(-c4ccccc4)csc3n2)C1
InChIKey: YUMUAUASBBJRKX-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 534.73, ALogP 4, HBA 8, HBD 1, PSA 87.82, QED 0.42
Compound (SMILES): CC(=O)NC1CCN(c2nc(N3CCC(COCCN4CCCC4)CC3)c3c(-c4ccccc4)csc3n2)C1
InChIKey: CSZIYHIDRYVKKF-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 548.76, ALogP 4.4, HBA 8, HBD 1, PSA 73.83, QED 0.4
Compound (SMILES): NC(=O)C1CCN(c2nc(N3CCC(COCCN4CCOCC4)CC3)c3c(-c4ccccc4)csc3n2)C1
InChIKey: ZECHRZJUMCIISZ-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 550.73, ALogP 3.24, HBA 9, HBD 1, PSA 97.05, QED 0.41
Compound (SMILES): CC(=O)NC1CCN(c2nc(N3CCC(COCCN4CCOCC4)CC3)c3c(-c4ccccc4)csc3n2)C1
InChIKey: LCSMVEMJQSFXGD-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 564.76, ALogP 3.64, HBA 9, HBD 1, PSA 83.06, QED 0.39
Compound (SMILES): CNC(=O)C1(N(C)C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CCC1
InChIKey: UQQNYAVZPJSZOV-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 3.93, HBA 6, HBD 1, PSA 61.36, QED 0.66
Compound (SMILES): CC(=O)N1CCN(CCOCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1
InChIKey: ZAYUZBXXHDHVHI-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 3.76, HBA 7, HBD 0, PSA 61.8, QED 0.48
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CC[C@@H](COCCN5CCCC5)C4)c23)cc1
InChIKey: KEGYOVVCEIJJLT-GOSISDBHSA-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 408.57, ALogP 4.3, HBA 6, HBD 0, PSA 41.49, QED 0.55
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CC[C@H](COCCN5CCCC5)C4)c23)cc1
InChIKey: KEGYOVVCEIJJLT-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 408.57, ALogP 4.3, HBA 6, HBD 0, PSA 41.49, QED 0.55
Compound (SMILES): CC(C)NC(=O)c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1C(C)C
InChIKey: HLTGICNTPRVUHR-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 473.69, ALogP 4.28, HBA 7, HBD 1, PSA 70.59, QED 0.55
Compound (SMILES): CC(C)c1csc2ncnc(N3CCC(COCCN4CCCC4)CC3)c12
InChIKey: QHYZJTQAPASLTN-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 388.58, ALogP 4.14, HBA 6, HBD 0, PSA 41.49, QED 0.67
Compound (SMILES): CN1CCC(N(C)CC2CCN(c3ncnc4sc(Br)c(-c5ccccc5)c34)CC2)C1
InChIKey: DMPDVWGBKSFQGK-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 500.51, ALogP 4.97, HBA 6, HBD 0, PSA 35.5, QED 0.49
Compound (SMILES): O=C(NCCN1CCCC1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey: YCUHAHJKYZZHMV-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 435.6, ALogP 3.79, HBA 6, HBD 1, PSA 61.36, QED 0.64
Compound (SMILES): O=C(NCCN1CCCC1)C1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1
InChIKey: JBWCSGWKDJOXKJ-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 3.79, HBA 6, HBD 1, PSA 61.36, QED 0.64
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(OCCN5CCCC5)C4)c23)cc1
InChIKey: VTXGDPCPKCDIDT-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 4.05, HBA 6, HBD 0, PSA 41.49, QED 0.63
Compound (SMILES): O=C(NCCN1CCCC1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)C1
InChIKey: AIBJEPWBWMQQLY-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 421.57, ALogP 3.4, HBA 6, HBD 1, PSA 61.36, QED 0.66
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(OCCN5CCCC5)CC4)c23)cc1
InChIKey: SFJBTVRSHZQBQY-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 408.57, ALogP 4.44, HBA 6, HBD 0, PSA 41.49, QED 0.6
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCCC(OCCN5CCCC5)C4)c23)cc1
InChIKey: STPSLISAVQWZDS-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 408.57, ALogP 4.44, HBA 6, HBD 0, PSA 41.49, QED 0.6
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CC(COCCN5CCCC5)C4)c23)cc1
InChIKey: ZGLCZTDBVLJPNN-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 394.54, ALogP 3.91, HBA 6, HBD 0, PSA 41.49, QED 0.57
Compound (SMILES): NC(=O)C1CCN(c2nc(N3CCC(COCCN4CCCC4)CC3)nc3scc(-c4ccccc4)c23)C1
InChIKey: YGGCFBLYZIEQQS-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 534.73, ALogP 4, HBA 8, HBD 1, PSA 87.82, QED 0.42
Compound (SMILES): CN(C)c1nc(N2CCC(COCCN3CCCC3)CC2)nc2scc(-c3ccccc3)c12
InChIKey: LGDVQJOUZKCHLN-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 465.67, ALogP 4.75, HBA 7, HBD 0, PSA 44.73, QED 0.45
Compound (SMILES): c1ccc(-c2csc3nc(N4CCC(COCCN5CCCC5)CC4)nc(N4CCOCC4)c23)cc1
InChIKey: OXYSSQZAJCAJJX-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 507.7, ALogP 4.52, HBA 8, HBD 0, PSA 53.96, QED 0.42
Compound (SMILES): NC(=O)[C@@H]1CCCN1CCOCC1C2CN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC12
InChIKey: AAFIZEFWYLOSAA-GJFGYCNFSA-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 481.6, ALogP 3.15, HBA 7, HBD 1, PSA 84.58, QED 0.5
Compound (SMILES): Fc1ccc(-c2csc3ncnc(N4CC5C(COCCN6CC[C@@H](F)C6)C5C4)c23)cc1
InChIKey: SPNRTCSZUUUYDZ-NEYBNPPJSA-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 456.56, ALogP 4.24, HBA 6, HBD 0, PSA 41.49, QED 0.5
Compound (SMILES): Fc1ccc(-c2csc3nc(Cl)nc(N4CCC(COCCN5CCCC5)CC4)c23)cc1
InChIKey: MRHVYIHMUGLADA-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 475.03, ALogP 5.48, HBA 6, HBD 0, PSA 41.49, QED 0.33
Compound (SMILES): O=C(NCCO)c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: AVTJQNJFMMVEKD-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 509.68, ALogP 3.41, HBA 8, HBD 2, PSA 90.82, QED 0.4
Compound (SMILES): OCc1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey: MZRCAECMMJACTB-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 4.18, HBA 7, HBD 1, PSA 61.72, QED 0.52
Compound (SMILES): CN1CCC(N(C)C(=O)C2CCCN(c3ncnc4scc(-c5ccccc5)c34)C2)C1
InChIKey: OTZFLRLLDVAZQU-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 435.6, ALogP 3.74, HBA 6, HBD 0, PSA 52.57, QED 0.62
Compound (SMILES): c1sc2nc(N3CCC(COCCN4CCCC4)CC3)ncc2c1C1CCCCC1
InChIKey: PRFJGOFCETWGRV-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 5.07, HBA 6, HBD 0, PSA 41.49, QED 0.58
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CC5CC4CC5OCCN4CCCC4)c23)cc1
InChIKey: QOLPMJXEJYOBKJ-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 4.44, HBA 6, HBD 0, PSA 41.49, QED 0.59
Compound (SMILES): O=C(NCCN1CCOCC1)C1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1
InChIKey: PAEDSLMVUYCKOQ-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 451.6, ALogP 3.02, HBA 7, HBD 1, PSA 70.59, QED 0.62
Compound (SMILES): c1ccc(-c2csc3ncnc(N4C5CCC4CC(COCCN4CCCC4)C5)c23)cc1
InChIKey: OJUXJOZQCJMATR-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 448.64, ALogP 5.22, HBA 6, HBD 0, PSA 41.49, QED 0.46
Compound (SMILES): CC(C)c1csc2ncnc(N3C4CCC3CC(COCCN3CCCC3)C4)c12
InChIKey: YIGIMRNGKQUSID-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 414.62, ALogP 4.67, HBA 6, HBD 0, PSA 41.49, QED 0.62
Compound (SMILES): CC(C)c1csc2ncnc(N3CC4CC3CC4OCCN3CCCC3)c12
InChIKey: QFRBKVQYHLOLIC-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 386.57, ALogP 3.89, HBA 6, HBD 0, PSA 41.49, QED 0.75
Compound (SMILES): c1ccc(-c2csc3ncnc(N4C5CCC4CC(OCCN4CCCC4)C5)c23)cc1
InChIKey: JMFMIIUCEQNTSV-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 4.97, HBA 6, HBD 0, PSA 41.49, QED 0.55
Compound (SMILES): NC(=O)C1CCN(CCOC2CC3CC2CN3c2ncnc3scc(-c4ccccc4)c23)C1
InChIKey: HVROVLUPBMYTLG-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 463.61, ALogP 3.15, HBA 7, HBD 1, PSA 84.58, QED 0.58
Compound (SMILES): F[C@H]1CCN(CCOC2CC3CC2CN3c2ncnc3scc(-c4ccccc4)c23)C1
InChIKey: LVMINFRDIPFWOO-PWWBFRNWSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 438.57, ALogP 4.39, HBA 6, HBD 0, PSA 41.49, QED 0.57
Compound (SMILES): CC(C)c1csc2ncnc(N3CC4CC3CC4OCCN3CC4CC3CO4)c12
InChIKey: MJHYJINVDKIRFO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 414.58, ALogP 3.27, HBA 7, HBD 0, PSA 50.72, QED 0.72
Compound (SMILES): NC(=O)[C@H]1CCCN1CCOC1CC2CC1CN2c1ncnc2scc(-c3ccccc3)c12
InChIKey: SXACBQVAZISJSA-RVTZPOIJSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 463.61, ALogP 3.29, HBA 7, HBD 1, PSA 84.58, QED 0.58
Compound (SMILES): CC(C)c1csc2ncnc(N3CC4CC3CC4OCCN3CC[C@H](F)C3)c12
InChIKey: MUHIWTRMLIAJQY-CKXUZFMQSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 404.56, ALogP 3.84, HBA 6, HBD 0, PSA 41.49, QED 0.73
Compound (SMILES): CC(C)c1csc2ncnc(N3CC4CC3CC4OCCN3CC[C@@H](F)C3)c12
InChIKey: MUHIWTRMLIAJQY-ZWIHVQRSSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 404.56, ALogP 3.84, HBA 6, HBD 0, PSA 41.49, QED 0.73
Compound (SMILES): c1ccc(-c2csc3ncnc(N4CCC(OCCCN5CCCC5)CC4)c23)cc1
InChIKey: TXNSMRBWDLPIQO-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 422.6, ALogP 4.83, HBA 6, HBD 0, PSA 41.49, QED 0.51
Compound (SMILES): CC(C)c1csc2ncnc(N3C4CCC3CC(OCCN3CCCC3)C4)c12
InChIKey: WYQGPYVYCAYFCS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 4.43, HBA 6, HBD 0, PSA 41.49, QED 0.72
Compound (SMILES): COCC1CCN(c2nc(N3C4CCC3CC(O)C4)nc3scc(-c4ccccc4)c23)CC1
InChIKey: AVNWJMSJRMOWTA-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 464.64, ALogP 4.71, HBA 7, HBD 1, PSA 61.72, QED 0.59
Compound (SMILES): COCC1CC2CCC(C1)N2c1nc(N2CCOCC2)c2c(-c3ccccc3)csc2n1
InChIKey: WCFXWUBWZVTGJK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 4.59, HBA 7, HBD 0, PSA 50.72, QED 0.57
Compound (SMILES): c1cc2c(N3C4CCC3COC4)nc(N3CCC(COCCN4CCCC4)CC3)nc2s1
InChIKey: RPXLZIMDKYWADS-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 457.64, ALogP 3.39, HBA 8, HBD 0, PSA 53.96, QED 0.59
Compound (SMILES): CC(C)CC(=O)Nc1sc2nc(N3CCC(COCCN4CCCC4)CC3)ncc2c1-c1ccccc1
InChIKey: KBKRSGKSTCYSEU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 521.73, ALogP 5.67, HBA 7, HBD 1, PSA 70.59, QED 0.35
Compound (SMILES): CC(C)C(=O)Nc1sc2nc(N3CCC(COCCN4CCCC4)CC3)ncc2c1-c1ccccc1
InChIKey: BBWDCJFXYIIWIR-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 507.7, ALogP 5.28, HBA 7, HBD 1, PSA 70.59, QED 0.4
Compound (SMILES): NC(=O)C1CN(c2nc(N3CCC(COCCN4CCCC4)CC3)nc3scc(-c4ccccc4)c23)CCO1
InChIKey: YWQHXOQJYBFUNN-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 550.73, ALogP 3.38, HBA 9, HBD 1, PSA 97.05, QED 0.41
Compound (SMILES): NC(=O)C1CCN(c2nc(N3CCOCC3)c3c(-c4ccccc4)csc3n2)C1
InChIKey: DWBJNXCAZISNLU-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 409.52, ALogP 2.51, HBA 7, HBD 1, PSA 84.58, QED 0.71
Compound (SMILES): COCC1CCN(c2nc(OC3CC4CC3CN4)nc3scc(-c4ccccc4)c23)CC1
InChIKey: RKWFTFKKKXFURW-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 450.61, ALogP 4.35, HBA 7, HBD 1, PSA 59.51, QED 0.6
Compound (SMILES): c1ccc(-c2coc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)cc1
InChIKey: ANDXWORBJCJVSZ-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 406.53, ALogP 4.22, HBA 6, HBD 0, PSA 54.63, QED 0.55
Compound (SMILES): NC(=O)C1CCN(c2nc(N3CC4CC3CO4)c3c(-c4ccccc4)csc3n2)C1
InChIKey: LHQRHMBBGWFSNY-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 421.53, ALogP 2.65, HBA 7, HBD 1, PSA 84.58, QED 0.7
Compound (SMILES): NC(=O)C1CCN(c2nc(N3C4CCC3CC(CO)C4)c3c(-c4ccccc4)csc3n2)C1
InChIKey: DNNNXMCKISCNGM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 463.61, ALogP 3.41, HBA 7, HBD 2, PSA 95.58, QED 0.6
Compound (SMILES): c1cc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)ccn1
InChIKey: CVBSMFLAQBNRGI-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 4.08, HBA 7, HBD 0, PSA 54.38, QED 0.53
Compound (SMILES): COc1cccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)c1
InChIKey: QTAOZUSOARVDIK-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 4.7, HBA 7, HBD 0, PSA 50.72, QED 0.46
Compound (SMILES): FC(F)(F)Oc1cccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)c1
InChIKey: PNQDBHKBUDFKST-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 506.59, ALogP 5.59, HBA 7, HBD 0, PSA 50.72, QED 0.37
Compound (SMILES): Nc1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccccc3)csc2n1
InChIKey: QWQZKVBHXDQBBM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 4.27, HBA 7, HBD 1, PSA 67.51, QED 0.56
Compound (SMILES): c1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccoc3)csc2n1
InChIKey: LVMSDBCOYRQBFT-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 412.56, ALogP 4.28, HBA 7, HBD 0, PSA 54.63, QED 0.54
Compound (SMILES): COc1ncccc1-c1csc2ncnc(N3CCC(COCCN4CCCC4)CC3)c12
InChIKey: MFDJXAAYHQIIJB-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 453.61, ALogP 4.09, HBA 8, HBD 0, PSA 63.61, QED 0.48
Compound (SMILES): c1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccsc3)csc2n1
InChIKey: AGCBLUNVDPIYDM-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 428.63, ALogP 4.75, HBA 7, HBD 0, PSA 41.49, QED 0.51
Compound (SMILES): CC(C)(C)NC(C)(C)C#Cc1ncnc2scc(-c3ccccc3)c12
InChIKey: BDUUODHQIUXNTB-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 349.5, ALogP 4.88, HBA 4, HBD 1, PSA 37.81, QED 0.67
Compound (SMILES): c1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccc4c(c3)OCO4)csc2n1
InChIKey: XFNFKCVVCLFILN-UHFFFAOYSA-N
Target: Kir3.1/Kir3.4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: 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 466.61, ALogP 4.42, HBA 8, HBD 0, PSA 59.95, QED 0.48