BDBM50315998 CHEMBL1090893::N-((S)-1-((1S,2R,4R)-4-(ethyl(isopropyl)amino)-2-(phenylsulfonylmethyl)cyclohexyl)-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide

SMILES: CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O

InChI Key: InChIKey=GGIXBIVLYUNLOM-JIWYJQEDSA-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 = 50315998   

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))	BDBM50315998 (CHEMBL1090893 | N-((S)-1-((1S,2R,4R)-4-(ethyl(isop...) Show SMILES CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C30H38F3N3O4S/c1-4-35(20(2)3)24-13-14-27(22(18-24)19-41(39,40)25-11-6-5-7-12-25)36-16-15-26(29(36)38)34-28(37)21-9-8-10-23(17-21)30(31,32)33/h5-12,17,20,22,24,26-27H,4,13-16,18-19H2,1-3H3,(H,34,37)/t22-,24+,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	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 after 45 mins in presence of 0.5 M bovine serum albumin				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315998 (CHEMBL1090893 | N-((S)-1-((1S,2R,4R)-4-(ethyl(isop...) Show SMILES CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C30H38F3N3O4S/c1-4-35(20(2)3)24-13-14-27(22(18-24)19-41(39,40)25-11-6-5-7-12-25)36-16-15-26(29(36)38)34-28(37)21-9-8-10-23(17-21)30(31,32)33/h5-12,17,20,22,24,26-27H,4,13-16,18-19H2,1-3H3,(H,34,37)/t22-,24+,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins				Bioorg Med Chem Lett 20: 2425-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.035 BindingDB Entry DOI: 10.7270/Q2ZK5GTM
					More data for this Ligand-Target Pair