Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50337622'   

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))	BDBM50337622 (((1S,3R)-1-ethyl-3-((3S,4S)-3-methoxy-tetrahydro-2...) Show SMILES CC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H35F3N4O3/c1-3-23(7-4-18(15-23)29-19-6-13-34-16-20(19)33-2)22(32)31-11-9-30(10-12-31)21-14-17(5-8-28-21)24(25,26)27/h5,8,14,18-20,29H,3-4,6-7,9-13,15-16H2,1-2H3/t18-,19+,20-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50337622 (((1S,3R)-1-ethyl-3-((3S,4S)-3-methoxy-tetrahydro-2...) Show SMILES CC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H35F3N4O3/c1-3-23(7-4-18(15-23)29-19-6-13-34-16-20(19)33-2)22(32)31-11-9-30(10-12-31)21-14-17(5-8-28-21)24(25,26)27/h5,8,14,18-20,29H,3-4,6-7,9-13,15-16H2,1-2H3/t18-,19+,20-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
					More data for this Ligand-Target Pair