Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'pearlstein' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001786 (1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards Serotonin 5-hydroxytryptamine 2A receptor				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM24226 (1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards histamine H1 receptor				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50334150 (1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards Serotonin 5-hydroxytryptamine 4 receptor				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50017376 ((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...) Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards histamine H1 receptor				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM24226 (1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Potassium channel HERG				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50001786 (1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Potassium channel HERG				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50001786 (1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM16496 (2-{3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4...) Show SMILES OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O Show InChI InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory activity against purified rat lens aldose reductase (RLAR)				J Med Chem 37: 787-92 (1994) BindingDB Entry DOI: 10.7270/Q2G73FCT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127999 (1-(2-{4-[1-(4-Fluoro-phenyl)-1H-indol-3-yl]-piperi...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=S)CC2)c2ccccc12 Show InChI InChI=1S/C24H27FN4S/c25-19-5-7-20(8-6-19)29-17-22(21-3-1-2-4-23(21)29)18-9-12-27(13-10-18)15-16-28-14-11-26-24(28)30/h1-8,17-18H,9-16H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50001778 ((Lu 23-086)1-(2-{4-[1-(4-Fluoro-phenyl)-1H-indol-3...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12 Show InChI InChI=1S/C24H27FN4O/c25-19-5-7-20(8-6-19)29-17-22(21-3-1-2-4-23(21)29)18-9-12-27(13-10-18)15-16-28-14-11-26-24(28)30/h1-8,17-18H,9-16H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50002002 (1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...) Show SMILES Fc1ccc(cc1)-n1cc(C2=CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 |t:11| Show InChI InChI=1S/C24H24ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-7,15-16H,8-14H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50031720 ((Dofetilide) N-[4-(2-{[2-(4-Methanesulfonylamino-p...) Show SMILES CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50053194 (CHEMBL301956 | [5-Chloro-1-(4-fluoro-phenyl)-1H-in...) Show SMILES CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C17H16ClFN2/c1-20(2)10-12-11-21(15-6-4-14(19)5-7-15)17-8-3-13(18)9-16(12)17/h3-9,11H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50009777 ((ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,...) Show SMILES OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 Show InChI InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory activity against purified rat lens aldose reductase (RLAR)				J Med Chem 37: 787-92 (1994) BindingDB Entry DOI: 10.7270/Q2G73FCT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50334150 (1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50334150 (1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Potassium channel HERG				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory activity against purified rat lens aldose reductase (RLAR)				J Med Chem 37: 787-92 (1994) BindingDB Entry DOI: 10.7270/Q2G73FCT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127982 (1-(2-{4-[1-(4-Fluoro-phenyl)-2,3-dihydro-1H-indol-...) Show SMILES Fc1ccc(cc1)N1CC(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12 Show InChI InChI=1S/C24H29FN4O/c25-19-5-7-20(8-6-19)29-17-22(21-3-1-2-4-23(21)29)18-9-12-27(13-10-18)15-16-28-14-11-26-24(28)30/h1-8,18,22H,9-17H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50128003 (CHEMBL52627 | MK-499 | N-[1'-(6-cyano-1,2,3,4-tetr...) Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)C3CCc4cc(ccc4C3)C#N)CC(O)c2c1 Show InChI InChI=1S/C25H29N3O4S/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127983 (4-(5-Chloro-3-{1-[2-(2-oxo-imidazolidin-1-yl)-ethy...) Show SMILES COC(=O)c1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C26H29ClN4O3/c1-34-25(32)19-2-5-21(6-3-19)31-17-23(22-16-20(27)4-7-24(22)31)18-8-11-29(12-9-18)14-15-30-13-10-28-26(30)33/h2-7,16-18H,8-15H2,1H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Potassium channel HERG				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50017376 ((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...) Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50017376 ((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...) Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Potassium channel HERG				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127989 (1-{2-[4-(5-Chloro-1-phenyl-1H-indol-3-yl)-piperidi...) Show SMILES Clc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccccc1 Show InChI InChI=1S/C24H27ClN4O/c25-19-6-7-23-21(16-19)22(17-29(23)20-4-2-1-3-5-20)18-8-11-27(12-9-18)14-15-28-13-10-26-24(28)30/h1-7,16-18H,8-15H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50040782 ((2,8-Diisopropyl-3-thioxo-2,3-dihydro-benzo[1,4]ox...) Show SMILES CC(C)C1Oc2c(cccc2N(CC(O)=O)C1=S)C(C)C Show InChI InChI=1S/C16H21NO3S/c1-9(2)11-6-5-7-12-15(11)20-14(10(3)4)16(21)17(12)8-13(18)19/h5-7,9-10,14H,8H2,1-4H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory activity against purified rat lens aldose reductase (RLAR)				J Med Chem 37: 787-92 (1994) BindingDB Entry DOI: 10.7270/Q2G73FCT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50128000 (CHEMBL415944 | [4-(5-Chloro-3-{1-[2-(2-oxo-imidazo...) Show SMILES COC(=O)Cc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C27H31ClN4O3/c1-35-26(33)16-19-2-5-22(6-3-19)32-18-24(23-17-21(28)4-7-25(23)32)20-8-11-30(12-9-20)14-15-31-13-10-29-27(31)34/h2-7,17-18,20H,8-16H2,1H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50128001 (1-{2-[4-(5-Chloro-1-cyclohexyl-1H-indol-3-yl)-pipe...) Show SMILES Clc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)C1CCCCC1 Show InChI InChI=1S/C24H33ClN4O/c25-19-6-7-23-21(16-19)22(17-29(23)20-4-2-1-3-5-20)18-8-11-27(12-9-18)14-15-28-13-10-26-24(28)30/h6-7,16-18,20H,1-5,8-15H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Potassium channel HERG				J Med Chem 46: 2017-22 (2003) Article DOI: 10.1021/jm0205651 BindingDB Entry DOI: 10.7270/Q2XD12C8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50002009 (5-Chloro-1-(4-fluoro-phenyl)-3-piperidin-4-yl-1H-i...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCNCC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C19H18ClFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-6,11-13,22H,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50040781 ((2,7-Difluoro-9H-fluoren-9-yl)-acetic acid | CHEMB...) Show SMILES OC(=O)CC1c2cc(F)ccc2-c2ccc(F)cc12 Show InChI InChI=1S/C15H10F2O2/c16-8-1-3-10-11-4-2-9(17)6-13(11)14(7-15(18)19)12(10)5-8/h1-6,14H,7H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory activity against purified rat lens aldose reductase (RLAR)				J Med Chem 37: 787-92 (1994) BindingDB Entry DOI: 10.7270/Q2G73FCT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127988 (4-[4-(Hydroxy-diphenyl-methyl)-piperidin-1-yl]-1-[...) Show SMILES CC(C)(O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H39NO3/c1-30(2,34)25-17-15-24(16-18-25)29(33)14-9-21-32-22-19-28(20-23-32)31(35,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,33-35H,9,14,19-23H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127992 (CHEMBL55835 | [4-(5-Chloro-3-{1-[2-(2-oxo-imidazol...) Show SMILES OC(=O)Cc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C26H29ClN4O3/c27-20-3-6-24-22(16-20)23(17-31(24)21-4-1-18(2-5-21)15-25(32)33)19-7-10-29(11-8-19)13-14-30-12-9-28-26(30)34/h1-6,16-17,19H,7-15H2,(H,28,34)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	579	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50040779 ((2-Fluoro-9H-fluoren-9-yl)-acetic acid | CHEMBL349...) Show SMILES OC(=O)CC1c2ccccc2-c2ccc(F)cc12 Show InChI InChI=1S/C15H11FO2/c16-9-5-6-12-10-3-1-2-4-11(10)14(8-15(17)18)13(12)7-9/h1-7,14H,8H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory activity against purified rat lens aldose reductase (RLAR)				J Med Chem 37: 787-92 (1994) BindingDB Entry DOI: 10.7270/Q2G73FCT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127986 (5-Chloro-3-(1-ethyl-propyl)-1-(4-fluoro-phenyl)-1H...) Show SMILES CCC(CC)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H19ClFN/c1-3-13(4-2)18-12-22(16-8-6-15(21)7-9-16)19-10-5-14(20)11-17(18)19/h5-13H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) Show SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory activity against purified rat lens aldose reductase (RLAR)				J Med Chem 37: 787-92 (1994) BindingDB Entry DOI: 10.7270/Q2G73FCT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127984 (1-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-pro...) Show SMILES CCC(=O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C17H13ClFNO/c1-2-17(21)15-10-20(13-6-4-12(19)5-7-13)16-8-3-11(18)9-14(15)16/h3-10H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127998 (1-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-pro...) Show SMILES CCC(O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C17H15ClFNO/c1-2-17(21)15-10-20(13-6-4-12(19)5-7-13)16-8-3-11(18)9-14(15)16/h3-10,17,21H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127987 (5-Chloro-3-ethyl-1-(4-fluoro-phenyl)-1H-indole | C...) Show SMILES CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C16H13ClFN/c1-2-11-10-19(14-6-4-13(18)5-7-14)16-8-3-12(17)9-15(11)16/h3-10H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50040780 (CHEMBL163958 | cid_234512 | spiro[9H-fluorene-9,4'...) Show SMILES O=C1NC(=O)C2(N1)c1ccccc1-c1ccccc21 Show InChI InChI=1S/C15H10N2O2/c18-13-15(17-14(19)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H,(H2,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory activity against purified rat lens aldose reductase (RLAR)				J Med Chem 37: 787-92 (1994) BindingDB Entry DOI: 10.7270/Q2G73FCT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127994 (1-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-eth...) Show SMILES CC(O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C16H13ClFNO/c1-10(20)15-9-19(13-5-3-12(18)4-6-13)16-7-2-11(17)8-14(15)16/h2-10,20H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50034798 ((9H-Fluoren-9-yl)-acetic acid | CHEMBL44381) Show SMILES OC(=O)CC1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C15H12O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory activity against purified rat lens aldose reductase (RLAR)				J Med Chem 37: 787-92 (1994) BindingDB Entry DOI: 10.7270/Q2G73FCT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127995 (1-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-eth...) Show SMILES CC(=O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C16H11ClFNO/c1-10(20)15-9-19(13-5-3-12(18)4-6-13)16-7-2-11(17)8-14(15)16/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127991 (5-Chloro-1-(4-fluoro-phenyl)-3-isopropyl-1H-indole...) Show SMILES CC(C)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C17H15ClFN/c1-11(2)16-10-20(14-6-4-13(19)5-7-14)17-8-3-12(18)9-15(16)17/h3-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50127990 (5-tert-Butyl-1-(4-fluoro-phenyl)-1H-indole | CHEMB...) Show SMILES CC(C)(C)c1ccc2n(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H18FN/c1-18(2,3)14-4-9-17-13(12-14)10-11-20(17)16-7-5-15(19)6-8-16/h4-12H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1				Bioorg Med Chem Lett 13: 1829-35 (2003) BindingDB Entry DOI: 10.7270/Q2TX3FX0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50040777 (CHEMBL351278 | spiro[9H-fluorene-9,4'-(tetrahydro-...) Show SMILES OC(=O)C1CC11c2ccccc2-c2ccccc12 Show InChI InChI=1S/C16H12O2/c17-15(18)14-9-16(14)12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,14H,9H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Eye Institute Curated by ChEMBL					Assay Description Inhibitory activity against purified rat lens aldose reductase (RLAR)				J Med Chem 37: 787-92 (1994) BindingDB Entry DOI: 10.7270/Q2G73FCT
					More data for this Ligand-Target Pair

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