BDBM50381190 CHEMBL2018402

SMILES: CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(c1)C(F)(F)F

InChI Key: InChIKey=TUIOBZDXJNENJB-ZEQRLZLVSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50381190   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50381190 (CHEMBL2018402) Show SMILES CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H37F3N4O3/c1-5-7-24(35)23(16-31-15-19-9-8-17(3)10-18(19)4)34-26(37)14-25(36)33-22-12-20(27(28,29)30)11-21(13-22)32-6-2/h8-13,23-24,31-32,35H,5-7,14-16H2,1-4H3,(H,33,36)(H,34,37)/t23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125-I]MCP1 from CCR2 on human PBMC				Bioorg Med Chem Lett 22: 3311-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.007 BindingDB Entry DOI: 10.7270/Q2PN96MB
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50381190 (CHEMBL2018402) Show SMILES CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H37F3N4O3/c1-5-7-24(35)23(16-31-15-19-9-8-17(3)10-18(19)4)34-26(37)14-25(36)33-22-12-20(27(28,29)30)11-21(13-22)32-6-2/h8-13,23-24,31-32,35H,5-7,14-16H2,1-4H3,(H,33,36)(H,34,37)/t23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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				Bioorg Med Chem Lett 22: 3311-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.007 BindingDB Entry DOI: 10.7270/Q2PN96MB
					More data for this Ligand-Target Pair