Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 3258   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM29988 (benzimidazole analogue, 7h | benzimidazole derivat...) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;6.09,-2.49,;8.33,-1.05,;9.17,-2.34,;9.04,.32,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C23H34ClN5OS/c1-5-28-10-12-29(13-11-28)21-15-20-19(14-18(21)24)25-22(26-20)31-23(3)8-6-17(7-9-23)27(4)16(2)30/h14-15,17H,5-13H2,1-4H3,(H,25,26)/t17-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.810	n/a	1.30	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30012 (benzimidazole analogue, 7k) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)C(=O)NC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;8.54,-.63,;9.57,-1.79,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H32ClN5OS/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-21(26-18)30-22(2)7-5-15(6-8-22)20(29)24-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	1.10	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30017 (benzimidazole analogue, 7p) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnco3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.69,-2.44,;8.01,-3.24,;9.17,-2.23,;8.57,-.81,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H29ClN6OS/c1-3-28-8-10-29(11-9-28)19-13-18-17(12-16(19)23)25-21(26-18)31-22(2)6-4-15(5-7-22)20-27-24-14-30-20/h12-15H,3-11H2,1-2H3,(H,25,26)/t15-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	0.590	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30011 (benzimidazole analogue, 7j) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N3CCCC3=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.75,-2.46,;8.11,-3.19,;9.22,-2.13,;8.56,-.74,;9.3,.61,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C24H34ClN5OS/c1-3-28-11-13-29(14-12-28)21-16-20-19(15-18(21)25)26-23(27-20)32-24(2)8-6-17(7-9-24)30-10-4-5-22(30)31/h15-17H,3-14H2,1-2H3,(H,26,27)/t17-,24-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	0.550	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30016 (benzimidazole analogue, 7o) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nc(C)no3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.57,-.82,;9.16,-2.24,;10.66,-2.6,;7.99,-3.24,;6.68,-2.44,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C23H31ClN6OS/c1-4-29-9-11-30(12-10-29)20-14-19-18(13-17(20)24)26-22(27-19)32-23(3)7-5-16(6-8-23)21-25-15(2)28-31-21/h13-14,16H,4-12H2,1-3H3,(H,26,27)/t16-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	0.910	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30018 (benzimidazole analogue, 7q) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnc(C)o3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.69,-2.44,;8.01,-3.24,;9.17,-2.23,;10.67,-2.58,;8.57,-.81,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C23H31ClN6OS/c1-4-29-9-11-30(12-10-29)20-14-19-18(13-17(20)24)25-22(26-19)32-23(3)7-5-16(6-8-23)21-28-27-15(2)31-21/h13-14,16H,4-12H2,1-3H3,(H,25,26)/t16-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	7.10	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30008 (benzimidazole analogue, 7g) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.04,-2.71,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H32ClN5OS/c1-4-27-9-11-28(12-10-27)20-14-19-18(13-17(20)23)25-21(26-19)30-22(3)7-5-16(6-8-22)24-15(2)29/h13-14,16H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t16-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	1.10	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30010 (benzimidazole analogue, 7i) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NS(C)(=O)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.06,-2,;5.78,-3.74,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C21H32ClN5O2S2/c1-4-26-9-11-27(12-10-26)19-14-18-17(13-16(19)22)23-20(24-18)30-21(2)7-5-15(6-8-21)25-31(3,28)29/h13-15,25H,4-12H2,1-3H3,(H,23,24)/t15-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	1.80	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30014 (benzimidazole analogue, 7m) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnn(C)n3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.68,-2.44,;7.99,-3.24,;9.16,-2.24,;10.66,-2.6,;8.57,-.82,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H31ClN8S/c1-4-30-9-11-31(12-10-30)19-14-18-17(13-16(19)23)24-21(25-18)32-22(2)7-5-15(6-8-22)20-26-28-29(3)27-20/h13-15H,4-12H2,1-3H3,(H,24,25)/t15-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	0.900	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29987 (benzimidazole analogue, 7e | benzimidazole derivat...) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H32ClN5O2S/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-20(26-18)31-22(2)7-5-15(6-8-22)24-21(29)30-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	0.720	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	0.650	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30004 (benzimidazole analogue, 7c) Show SMILES CCOC(=O)N1CCC(C)(CC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CC)CC1 Show InChI InChI=1S/C22H32ClN5O2S/c1-4-26-10-12-27(13-11-26)19-15-18-17(14-16(19)23)24-20(25-18)31-22(3)6-8-28(9-7-22)21(29)30-5-2/h14-15H,4-13H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	1.10	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30013 (benzimidazole analogue, 7l) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)S(C)(=O)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.52,-.54,;5.7,-1.71,;7.81,-2.28,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C21H31ClN4O2S2/c1-4-25-9-11-26(12-10-25)19-14-18-17(13-16(19)22)23-20(24-18)29-21(2)7-5-15(6-8-21)30(3,27)28/h13-15H,4-12H2,1-3H3,(H,23,24)/t15-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	4	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30015 (benzimidazole analogue, 7n) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnnn3C)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.57,-.82,;9.16,-2.24,;7.99,-3.24,;6.68,-2.44,;5.25,-3.03,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H31ClN8S/c1-4-30-9-11-31(12-10-30)19-14-18-17(13-16(19)23)24-21(25-18)32-22(2)7-5-15(6-8-22)20-26-27-28-29(20)3/h13-15H,4-12H2,1-3H3,(H,24,25)/t15-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	3.70	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29996 (benzimidazole analogue, 5a) Show SMILES CCN1CCN([C@H](C)C1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4S/c1-6-22-7-8-23(12(2)11-22)16-10-15-14(9-13(16)19)20-17(21-15)24-18(3,4)5/h9-10,12H,6-8,11H2,1-5H3,(H,20,21)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	2.90	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30005 (benzimidazole analogue, 7d) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,wD:14.14,18.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;5.48,2.82,;6.5,1.67,;6.01,.21,;4.51,-.1,;3.48,1.06,;7.04,-.94,;6.55,-2.4,;5.04,-2.71,;7.57,-3.56,;7.08,-5.02,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H32ClN5O2S/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-20(26-18)31-22(2)7-5-15(6-8-22)24-21(29)30-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	2.10	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30007 (Racemate | benzimidazole analogue, 7f) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](C3)NC(=O)OC)nc2cc1Cl |r| Show InChI InChI=1S/C21H30ClN5O2S/c1-4-26-7-9-27(10-8-26)18-12-17-16(11-15(18)22)24-19(25-17)30-21(2)6-5-14(13-21)23-20(28)29-3/h11-12,14H,4-10,13H2,1-3H3,(H,23,28)(H,24,25)/t14-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	46	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30003 (benzimidazole analogue, 7b) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(SC(C)(C)CCNC(=O)OC)nc2cc1Cl Show InChI InChI=1S/C20H30ClN5O2S/c1-5-25-8-10-26(11-9-25)17-13-16-15(12-14(17)21)23-18(24-16)29-20(2,3)6-7-22-19(27)28-4/h12-13H,5-11H2,1-4H3,(H,22,27)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	8.60	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30002 (benzimidazole analogue, 7a) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl Show InChI InChI=1S/C17H25ClN4S/c1-5-21-6-8-22(9-7-21)15-11-14-13(10-12(15)18)19-16(20-14)23-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29997 (benzimidazole analogue, 5b) Show SMILES C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H25ClF2N4S/c1-11-9-24(10-16(20)21)5-6-25(11)15-8-14-13(7-12(15)19)22-17(23-14)26-18(2,3)4/h7-8,11,16H,5-6,9-10H2,1-4H3,(H,22,23)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30000 (benzimidazole analogue, 5e) Show SMILES C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C19H26ClN5S/c1-13-12-24(7-5-6-21)8-9-25(13)17-11-16-15(10-14(17)20)22-18(23-16)26-19(2,3)4/h10-11,13H,5,7-9,12H2,1-4H3,(H,22,23)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	6.40	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM30001 (benzimidazole analogue, 5f) Show SMILES C[C@@H]1CN(CC(C)=O)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C19H27ClN4OS/c1-12-10-23(11-13(2)25)6-7-24(12)17-9-16-15(8-14(17)20)21-18(22-16)26-19(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	41	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29999 (benzimidazole analogue, 5d) Show SMILES C[C@@H]1CN(CC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H24ClN5S/c1-12-11-23(6-5-20)7-8-24(12)16-10-15-14(9-13(16)19)21-17(22-15)25-18(2,3)4/h9-10,12H,6-8,11H2,1-4H3,(H,21,22)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30016 (benzimidazole analogue, 7o) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nc(C)no3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.57,-.82,;9.16,-2.24,;10.66,-2.6,;7.99,-3.24,;6.68,-2.44,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C23H31ClN6OS/c1-4-29-9-11-30(12-10-29)20-14-19-18(13-17(20)24)26-22(27-19)32-23(3)7-5-16(6-8-23)21-25-15(2)28-31-21/h13-14,16H,4-12H2,1-3H3,(H,26,27)/t16-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29998 (benzimidazole analogue, 5c) Show SMILES C[C@@H]1CN(CC(F)(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H24ClF3N4S/c1-11-9-25(10-18(20,21)22)5-6-26(11)15-8-14-13(7-12(15)19)23-16(24-14)27-17(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,23,24)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM29996 (benzimidazole analogue, 5a) Show SMILES CCN1CCN([C@H](C)C1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4S/c1-6-22-7-8-23(12(2)11-22)16-10-15-14(9-13(16)19)20-17(21-15)24-18(3,4)5/h9-10,12H,6-8,11H2,1-5H3,(H,20,21)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30005 (benzimidazole analogue, 7d) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,wD:14.14,18.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;5.48,2.82,;6.5,1.67,;6.01,.21,;4.51,-.1,;3.48,1.06,;7.04,-.94,;6.55,-2.4,;5.04,-2.71,;7.57,-3.56,;7.08,-5.02,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H32ClN5O2S/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-20(26-18)31-22(2)7-5-15(6-8-22)24-21(29)30-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30007 (Racemate | benzimidazole analogue, 7f) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](C3)NC(=O)OC)nc2cc1Cl |r| Show InChI InChI=1S/C21H30ClN5O2S/c1-4-26-7-9-27(10-8-26)18-12-17-16(11-15(18)22)24-19(25-17)30-21(2)6-5-14(13-21)23-20(28)29-3/h11-12,14H,4-10,13H2,1-3H3,(H,23,28)(H,24,25)/t14-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30017 (benzimidazole analogue, 7p) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnco3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.69,-2.44,;8.01,-3.24,;9.17,-2.23,;8.57,-.81,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H29ClN6OS/c1-3-28-8-10-29(11-9-28)19-13-18-17(12-16(19)23)25-21(26-18)31-22(2)6-4-15(5-7-22)20-27-24-14-30-20/h12-15H,3-11H2,1-2H3,(H,25,26)/t15-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM29987 (benzimidazole analogue, 7e | benzimidazole derivat...) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H32ClN5O2S/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-20(26-18)31-22(2)7-5-15(6-8-22)24-21(29)30-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30004 (benzimidazole analogue, 7c) Show SMILES CCOC(=O)N1CCC(C)(CC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CC)CC1 Show InChI InChI=1S/C22H32ClN5O2S/c1-4-26-10-12-27(13-11-26)19-15-18-17(14-16(19)23)24-20(25-18)31-22(3)6-8-28(9-7-22)21(29)30-5-2/h14-15H,4-13H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30014 (benzimidazole analogue, 7m) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnn(C)n3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.68,-2.44,;7.99,-3.24,;9.16,-2.24,;10.66,-2.6,;8.57,-.82,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H31ClN8S/c1-4-30-9-11-31(12-10-30)19-14-18-17(13-16(19)23)24-21(25-18)32-22(2)7-5-15(6-8-22)20-26-28-29(3)27-20/h13-15H,4-12H2,1-3H3,(H,24,25)/t15-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30015 (benzimidazole analogue, 7n) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnnn3C)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.57,-.82,;9.16,-2.24,;7.99,-3.24,;6.68,-2.44,;5.25,-3.03,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H31ClN8S/c1-4-30-9-11-31(12-10-30)19-14-18-17(13-16(19)23)24-21(25-18)32-22(2)7-5-15(6-8-22)20-26-27-28-29(20)3/h13-15H,4-12H2,1-3H3,(H,24,25)/t15-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM29988 (benzimidazole analogue, 7h | benzimidazole derivat...) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;6.09,-2.49,;8.33,-1.05,;9.17,-2.34,;9.04,.32,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C23H34ClN5OS/c1-5-28-10-12-29(13-11-28)21-15-20-19(14-18(21)24)25-22(26-20)31-23(3)8-6-17(7-9-23)27(4)16(2)30/h14-15,17H,5-13H2,1-4H3,(H,25,26)/t17-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30010 (benzimidazole analogue, 7i) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NS(C)(=O)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.06,-2,;5.78,-3.74,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C21H32ClN5O2S2/c1-4-26-9-11-27(12-10-26)19-14-18-17(13-16(19)22)23-20(24-18)30-21(2)7-5-15(6-8-21)25-31(3,28)29/h13-15,25H,4-12H2,1-3H3,(H,23,24)/t15-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30011 (benzimidazole analogue, 7j) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N3CCCC3=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.75,-2.46,;8.11,-3.19,;9.22,-2.13,;8.56,-.74,;9.3,.61,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C24H34ClN5OS/c1-3-28-11-13-29(14-12-28)21-16-20-19(15-18(21)25)26-23(27-20)32-24(2)8-6-17(7-9-24)30-10-4-5-22(30)31/h15-17H,3-14H2,1-2H3,(H,26,27)/t17-,24-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30012 (benzimidazole analogue, 7k) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)C(=O)NC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;8.54,-.63,;9.57,-1.79,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H32ClN5OS/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-21(26-18)30-22(2)7-5-15(6-8-22)20(29)24-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30001 (benzimidazole analogue, 5f) Show SMILES C[C@@H]1CN(CC(C)=O)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C19H27ClN4OS/c1-12-10-23(11-13(2)25)6-7-24(12)17-9-16-15(8-14(17)20)21-18(22-16)26-19(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM29999 (benzimidazole analogue, 5d) Show SMILES C[C@@H]1CN(CC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H24ClN5S/c1-12-11-23(6-5-20)7-8-24(12)16-10-15-14(9-13(16)19)21-17(22-15)25-18(2,3)4/h9-10,12H,6-8,11H2,1-4H3,(H,21,22)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM29997 (benzimidazole analogue, 5b) Show SMILES C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H25ClF2N4S/c1-11-9-24(10-16(20)21)5-6-25(11)15-8-14-13(7-12(15)19)22-17(23-14)26-18(2,3)4/h7-8,11,16H,5-6,9-10H2,1-4H3,(H,22,23)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30018 (benzimidazole analogue, 7q) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnc(C)o3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.69,-2.44,;8.01,-3.24,;9.17,-2.23,;10.67,-2.58,;8.57,-.81,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C23H31ClN6OS/c1-4-29-9-11-30(12-10-29)20-14-19-18(13-17(20)24)25-22(26-19)32-23(3)7-5-16(6-8-23)21-28-27-15(2)31-21/h13-14,16H,4-12H2,1-3H3,(H,25,26)/t16-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30008 (benzimidazole analogue, 7g) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.04,-2.71,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H32ClN5OS/c1-4-27-9-11-28(12-10-27)20-14-19-18(13-17(20)23)25-21(26-19)30-22(3)7-5-16(6-8-22)24-15(2)29/h13-14,16H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t16-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30000 (benzimidazole analogue, 5e) Show SMILES C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C19H26ClN5S/c1-13-12-24(7-5-6-21)8-9-25(13)17-11-16-15(10-14(17)20)22-18(23-16)26-19(2,3)4/h10-11,13H,5,7-9,12H2,1-4H3,(H,22,23)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM30013 (benzimidazole analogue, 7l) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)S(C)(=O)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.52,-.54,;5.7,-1.71,;7.81,-2.28,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C21H31ClN4O2S2/c1-4-25-9-11-26(12-10-25)19-14-18-17(13-16(19)22)23-20(24-18)29-21(2)7-5-15(6-8-21)30(3,27)28/h13-15H,4-12H2,1-3H3,(H,23,24)/t15-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co.					Assay Description Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...				Bioorg Med Chem Lett 19: 3100-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.022 BindingDB Entry DOI: 10.7270/Q20R9MRX
					More data for this Ligand-Target Pair