Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50219862'   

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))	BDBM50219862 ((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...) Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(26(27,28)29)8-9-20(19)30/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux				Bioorg Med Chem Lett 17: 5455-61 (2007) Article DOI: 10.1016/j.bmcl.2007.07.028 BindingDB Entry DOI: 10.7270/Q29Z94NN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50219862 ((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...) Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(26(27,28)29)8-9-20(19)30/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125]MCP1 from CCR2 in human PBMCs				Bioorg Med Chem Lett 17: 5455-61 (2007) Article DOI: 10.1016/j.bmcl.2007.07.028 BindingDB Entry DOI: 10.7270/Q29Z94NN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50219862 ((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...) Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1 Show InChI InChI=1S/C26H34F3N5O3/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(26(27,28)29)8-9-20(19)30/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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 PBMCs assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 17: 5455-61 (2007) Article DOI: 10.1016/j.bmcl.2007.07.028 BindingDB Entry DOI: 10.7270/Q29Z94NN
					More data for this Ligand-Target Pair