BDBM50375741 CHEMBL272331

SMILES: COc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)ccc1O

InChI Key: InChIKey=MLYWTGAAWAAAKB-QGZVFWFLSA-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 = 50375741   

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))	BDBM50375741 (CHEMBL272331) Show SMILES COc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)ccc1O Show InChI InChI=1S/C22H24F3N3O4/c1-32-19-9-14(5-6-18(19)29)12-28-8-7-17(13-28)27-20(30)11-26-21(31)15-3-2-4-16(10-15)22(23,24)25/h2-6,9-10,17,29H,7-8,11-13H2,1H3,(H,26,31)(H,27,30)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2b in THP1 cells				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50375741 (CHEMBL272331) Show SMILES COc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)ccc1O Show InChI InChI=1S/C22H24F3N3O4/c1-32-19-9-14(5-6-18(19)29)12-28-8-7-17(13-28)27-20(30)11-26-21(31)15-3-2-4-16(10-15)22(23,24)25/h2-6,9-10,17,29H,7-8,11-13H2,1H3,(H,26,31)(H,27,30)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair