BDBM50153912 1-(3-Hydroxymethyl-phenyl)-3-[4-(4-methanesulfonyl-benzyl)-[1,4]diazepan-1-yl]-1-phenyl-propan-1-ol::CHEMBL442966

SMILES: CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(CO)c3)CC2)cc1

InChI Key: InChIKey=GEPFBLJYMJOADE-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 = 50153912   

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))	BDBM50153912 (1-(3-Hydroxymethyl-phenyl)-3-[4-(4-methanesulfonyl...) Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(CO)c3)CC2)cc1 Show InChI InChI=1S/C29H36N2O4S/c1-36(34,35)28-13-11-24(12-14-28)22-31-17-6-16-30(19-20-31)18-15-29(33,26-8-3-2-4-9-26)27-10-5-7-25(21-27)23-32/h2-5,7-14,21,32-33H,6,15-20,22-23H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+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