Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50031599   

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
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315998 (CHEMBL1090893 | N-((S)-1-((1S,2R,4R)-4-(ethyl(isop...) Show SMILES CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C30H38F3N3O4S/c1-4-35(20(2)3)24-13-14-27(22(18-24)19-41(39,40)25-11-6-5-7-12-25)36-16-15-26(29(36)38)34-28(37)21-9-8-10-23(17-21)30(31,32)33/h5-12,17,20,22,24,26-27H,4,13-16,18-19H2,1-3H3,(H,34,37)/t22-,24+,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315992 (CHEMBL1092678 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccc(C)cc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C30H38F3N3O4S/c1-19(2)35(4)24-10-13-27(22(17-24)18-41(39,40)25-11-8-20(3)9-12-25)36-15-14-26(29(36)38)34-28(37)21-6-5-7-23(16-21)30(31,32)33/h5-9,11-12,16,19,22,24,26-27H,10,13-15,17-18H2,1-4H3,(H,34,37)/t22-,24+,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315993 (CHEMBL1091605 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H36F3N3O4S/c1-19(2)34(3)23-12-13-26(21(17-23)18-40(38,39)24-10-5-4-6-11-24)35-15-14-25(28(35)37)33-27(36)20-8-7-9-22(16-20)29(30,31)32/h4-11,16,19,21,23,25-26H,12-15,17-18H2,1-3H3,(H,33,36)/t21-,23+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 45 mins in presence of 0.1 M bovine serum albumin				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r| Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315989 (3-fluoro-N-((S)-1-((1S,2R,4R)-4-(isopropyl(methyl)...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H35F4N3O4S/c1-18(2)35(3)23-9-10-26(20(15-23)17-41(39,40)24-7-5-4-6-8-24)36-12-11-25(28(36)38)34-27(37)19-13-21(29(31,32)33)16-22(30)14-19/h4-8,13-14,16,18,20,23,25-26H,9-12,15,17H2,1-3H3,(H,34,37)/t20-,23+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315993 (CHEMBL1091605 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H36F3N3O4S/c1-19(2)34(3)23-12-13-26(21(17-23)18-40(38,39)24-10-5-4-6-11-24)35-15-14-25(28(35)37)33-27(36)20-8-7-9-22(16-20)29(30,31)32/h4-11,16,19,21,23,25-26H,12-15,17-18H2,1-3H3,(H,33,36)/t21-,23+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r| Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 45 mins in presence of 0.1 M bovine serum albumin				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315998 (CHEMBL1090893 | N-((S)-1-((1S,2R,4R)-4-(ethyl(isop...) Show SMILES CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C30H38F3N3O4S/c1-4-35(20(2)3)24-13-14-27(22(18-24)19-41(39,40)25-11-6-5-7-12-25)36-16-15-26(29(36)38)34-28(37)21-9-8-10-23(17-21)30(31,32)33/h5-12,17,20,22,24,26-27H,4,13-16,18-19H2,1-3H3,(H,34,37)/t22-,24+,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 45 mins in presence of 0.5 M bovine serum albumin				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315990 (CHEMBL1092748 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C30H35F6N3O4S/c1-18(2)38(3)23-9-10-26(20(15-23)17-44(42,43)24-7-5-4-6-8-24)39-12-11-25(28(39)41)37-27(40)19-13-21(29(31,32)33)16-22(14-19)30(34,35)36/h4-8,13-14,16,18,20,23,25-26H,9-12,15,17H2,1-3H3,(H,37,40)/t20-,23+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50316002 ((+/-)-tert-butyl 2-(2-((1S,2R)-2-(4-(methylthio)be...) Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)C(F)(F)F |r| Show InChI InChI=1S/C29H35F3N4O5S/c1-28(2,3)41-27(40)36-21-14-11-18(29(30,31)32)15-20(21)26(39)33-16-24(37)34-22-7-5-6-8-23(22)35-25(38)17-9-12-19(42-4)13-10-17/h9-15,22-23H,5-8,16H2,1-4H3,(H,33,39)(H,34,37)(H,35,38)(H,36,40)/t22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human PBMC after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315997 (CHEMBL1093318 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CCCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C31H40F3N3O4S/c1-4-16-36(21(2)3)25-13-14-28(23(19-25)20-42(40,41)26-11-6-5-7-12-26)37-17-15-27(30(37)39)35-29(38)22-9-8-10-24(18-22)31(32,33)34/h5-12,18,21,23,25,27-28H,4,13-17,19-20H2,1-3H3,(H,35,38)/t23-,25+,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315986 (CHEMBL1090562 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1C(=O)C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H34F3N3O5S/c1-18(2)34(3)22-12-13-25(20(15-22)17-41(39,40)23-10-5-4-6-11-23)35-26(36)16-24(28(35)38)33-27(37)19-8-7-9-21(14-19)29(30,31)32/h4-11,14,18,20,22,24-25H,12-13,15-17H2,1-3H3,(H,33,37)/t20-,22+,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315991 (CHEMBL1092940 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2ccccc2)C1=O |r| Show InChI InChI=1S/C28H37N3O4S/c1-20(2)30(3)23-14-15-26(22(18-23)19-36(34,35)24-12-8-5-9-13-24)31-17-16-25(28(31)33)29-27(32)21-10-6-4-7-11-21/h4-13,20,22-23,25-26H,14-19H2,1-3H3,(H,29,32)/t22-,23+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315999 (CHEMBL1092739 | tert-butyl 2-((S)-1-((1S,2R)-2-(4-...) Show SMILES CSc1ccc(CN[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(ccc3NC(=O)OC(C)(C)C)C(F)(F)F)C2=O)cc1 |r| Show InChI InChI=1S/C31H39F3N4O4S/c1-30(2,3)42-29(41)37-23-14-11-20(31(32,33)34)17-22(23)27(39)36-25-15-16-38(28(25)40)26-8-6-5-7-24(26)35-18-19-9-12-21(43-4)13-10-19/h9-14,17,24-26,35H,5-8,15-16,18H2,1-4H3,(H,36,39)(H,37,41)/t24-,25+,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human PBMC after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315988 (CHEMBL1090561 | N-((S)-1-((1S,2R,4R)-4-(dimethylam...) Show SMILES CN(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CCC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C28H34F3N3O4S/c1-33(2)22-13-14-25(20(17-22)18-39(37,38)23-10-4-3-5-11-23)34-15-7-12-24(27(34)36)32-26(35)19-8-6-9-21(16-19)28(29,30)31/h3-6,8-11,16,20,22,24-25H,7,12-15,17-18H2,1-2H3,(H,32,35)/t20-,22+,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50316000 ((+/-)-tert-butyl 2-((R)-1-((1S,2R)-2-(4-(methylthi...) Show SMILES CSc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(ccc2NC(=O)OC(C)(C)C)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C29H37F3N4O4S/c1-28(2,3)40-27(39)36-22-14-11-19(29(30,31)32)15-21(22)26(38)34-17-25(37)35-24-8-6-5-7-23(24)33-16-18-9-12-20(41-4)13-10-18/h9-15,23-24,33H,5-8,16-17H2,1-4H3,(H,34,38)(H,35,37)(H,36,39)/t23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human PBMC after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50316001 (CHEMBL1092434 | tert-butyl 2-(2-((1S,2R)-2-(4-(met...) Show SMILES CSc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@@H]1N1CC[C@H](NC(=O)c2cc(ccc2NC(=O)OC(C)(C)C)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C31H37F3N4O5S/c1-30(2,3)43-29(42)37-22-14-11-19(31(32,33)34)17-21(22)27(40)36-24-15-16-38(28(24)41)25-8-6-5-7-23(25)35-26(39)18-9-12-20(44-4)13-10-18/h9-14,17,23-25H,5-8,15-16H2,1-4H3,(H,35,39)(H,36,40)(H,37,42)/t23-,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human PBMC after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315987 (CHEMBL1093320 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CCCC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C31H40F3N3O4S/c1-21(2)36(3)25-15-16-28(23(19-25)20-42(40,41)26-12-5-4-6-13-26)37-17-8-7-14-27(30(37)39)35-29(38)22-10-9-11-24(18-22)31(32,33)34/h4-6,9-13,18,21,23,25,27-28H,7-8,14-17,19-20H2,1-3H3,(H,35,38)/t23-,25+,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315996 (CHEMBL1088930 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC(C)(C)[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C31H40F3N3O4S/c1-20(2)36(5)24-14-15-26(22(17-24)18-42(40,41)25-12-7-6-8-13-25)37-19-30(3,4)27(29(37)39)35-28(38)21-10-9-11-23(16-21)31(32,33)34/h6-13,16,20,22,24,26-27H,14-15,17-19H2,1-5H3,(H,35,38)/t22-,24+,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50315992 (CHEMBL1092678 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccc(C)cc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C30H38F3N3O4S/c1-19(2)35(4)24-10-13-27(22(17-24)18-41(39,40)25-11-8-20(3)9-12-25)36-15-14-26(29(36)38)34-28(37)21-6-5-7-23(16-21)30(31,32)33/h5-9,11-12,16,19,22,24,26-27H,10,13-15,17-18H2,1-4H3,(H,34,37)/t22-,24+,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50315990 (CHEMBL1092748 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C30H35F6N3O4S/c1-18(2)38(3)23-9-10-26(20(15-23)17-44(42,43)24-7-5-4-6-8-24)39-12-11-25(28(39)41)37-27(40)19-13-21(29(31,32)33)16-22(14-19)30(34,35)36/h4-8,13-14,16,18,20,23,25-26H,9-12,15,17H2,1-3H3,(H,37,40)/t20-,23+,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315995 ((+/-)-N-(1-((1S,2R,4R)-4-(isopropyl(methyl)amino)-...) Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CCC(C)(NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C31H40F3N3O4S2/c1-20(2)36(4)24-9-14-27(22(18-24)19-43(40,41)26-12-10-25(42-5)11-13-26)37-16-15-30(3,29(37)39)35-28(38)21-7-6-8-23(17-21)31(32,33)34/h6-8,10-13,17,20,22,24,27H,9,14-16,18-19H2,1-5H3,(H,35,38)/t22-,24+,27-,30?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315995 ((+/-)-N-(1-((1S,2R,4R)-4-(isopropyl(methyl)amino)-...) Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CCC(C)(NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C31H40F3N3O4S2/c1-20(2)36(4)24-9-14-27(22(18-24)19-43(40,41)26-12-10-25(42-5)11-13-26)37-16-15-30(3,29(37)39)35-28(38)21-7-6-8-23(17-21)31(32,33)34/h6-8,10-13,17,20,22,24,27H,9,14-16,18-19H2,1-5H3,(H,35,38)/t22-,24+,27-,30?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50315989 (3-fluoro-N-((S)-1-((1S,2R,4R)-4-(isopropyl(methyl)...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H35F4N3O4S/c1-18(2)35(3)23-9-10-26(20(15-23)17-41(39,40)24-7-5-4-6-8-24)36-12-11-25(28(36)38)34-27(37)19-13-21(29(31,32)33)16-22(30)14-19/h4-8,13-14,16,18,20,23,25-26H,9-12,15,17H2,1-3H3,(H,34,37)/t20-,23+,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50315993 (CHEMBL1091605 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C29H36F3N3O4S/c1-19(2)34(3)23-12-13-26(21(17-23)18-40(38,39)24-10-5-4-6-11-24)35-15-14-25(28(35)37)33-27(36)20-8-7-9-22(16-20)29(30,31)32/h4-11,16,19,21,23,25-26H,12-15,17-18H2,1-3H3,(H,33,36)/t21-,23+,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50315991 (CHEMBL1092940 | N-((S)-1-((1S,2R,4R)-4-(isopropyl(...) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2ccccc2)C1=O |r| Show InChI InChI=1S/C28H37N3O4S/c1-20(2)30(3)23-14-15-26(22(18-23)19-36(34,35)24-12-8-5-9-13-24)31-17-16-25(28(31)33)29-27(32)21-10-6-4-7-11-21/h4-13,20,22-23,25-26H,14-19H2,1-3H3,(H,29,32)/t22-,23+,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50315994 (CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...) Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r| Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair