Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50011987'   

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))	BDBM50011987 (CHEMBL3263269) Show SMILES [H][C@]1(C[C@@]2([H])OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N[C@@H]1CCOC[C@@H]1OC |r| Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18-,19+,20-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 expressed in THP1 cells assessed as inhibition of MCP-1 induced chemotaxis				Bioorg Med Chem Lett 24: 2137-40 (2014) Article DOI: 10.1016/j.bmcl.2014.03.036 BindingDB Entry DOI: 10.7270/Q2TH8P7P
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50011987 (CHEMBL3263269) Show SMILES [H][C@]1(C[C@@]2([H])OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N[C@@H]1CCOC[C@@H]1OC |r| Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18-,19+,20-,22-/m1/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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells				Bioorg Med Chem Lett 24: 2137-40 (2014) Article DOI: 10.1016/j.bmcl.2014.03.036 BindingDB Entry DOI: 10.7270/Q2TH8P7P
					More data for this Ligand-Target Pair