BDBM50153936 3-[4-(4-Methanesulfonyl-benzyl)-[1,4]diazepan-1-yl]-1-(3-methoxy-phenyl)-1-phenyl-propan-1-ol::CHEMBL186913

SMILES: COc1cccc(c1)C(O)(CCN1CCCN(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1

InChI Key: InChIKey=GGGQOVLGMUZYKV-UHFFFAOYSA-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 = 50153936   

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))	BDBM50153936 (3-[4-(4-Methanesulfonyl-benzyl)-[1,4]diazepan-1-yl...) Show SMILES COc1cccc(c1)C(O)(CCN1CCCN(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 Show InChI InChI=1S/C29H36N2O4S/c1-35-27-11-6-10-26(22-27)29(32,25-8-4-3-5-9-25)16-19-30-17-7-18-31(21-20-30)23-24-12-14-28(15-13-24)36(2,33)34/h3-6,8-15,22,32H,7,16-21,23H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Bio-medical Research Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell				Bioorg Med Chem Lett 14: 5407-11 (2004) Article DOI: 10.1016/j.bmcl.2004.08.008 BindingDB Entry DOI: 10.7270/Q2125S4T
					More data for this Ligand-Target Pair