BDBM50315999 CHEMBL1092739::tert-butyl 2-((S)-1-((1S,2R)-2-(4-(methylthio)benzylamino)cyclohexyl)-2-oxopyrrolidin-3-ylcarbamoyl)-4-(trifluoromethyl)phenylcarbamate

SMILES: CSc1ccc(CN[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(ccc3NC(=O)OC(C)(C)C)C(F)(F)F)C2=O)cc1

InChI Key: InChIKey=TYQZZRQBYYICKJ-ZNZIZOMTSA-N

Data: 1 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 1 hit for monomerid = 50315999   

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))	BDBM50315999 (CHEMBL1092739 | tert-butyl 2-((S)-1-((1S,2R)-2-(4-...) Show SMILES CSc1ccc(CN[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(ccc3NC(=O)OC(C)(C)C)C(F)(F)F)C2=O)cc1 |r| Show InChI InChI=1S/C31H39F3N4O4S/c1-30(2,3)42-29(41)37-23-14-11-20(31(32,33)34)17-22(23)27(39)36-25-15-16-38(28(25)40)26-8-6-5-7-24(26)35-18-19-9-12-21(43-4)13-10-19/h9-14,17,24-26,35H,5-8,15-16,18H2,1-4H3,(H,36,39)(H,37,41)/t24-,25+,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	278	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 PBMC 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