BDBM50153910 1,1-di(3-hydroxyphenyl)-3-[4-(4-methylsulfonylbenzyl)-1,4-diazepan-1-yl]-1-propanol::CHEMBL185180

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

InChI Key: InChIKey=XHXBJDOQTBRKON-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 = 50153910   

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))	BDBM50153910 (1,1-di(3-hydroxyphenyl)-3-[4-(4-methylsulfonylbenz...) Show SMILES CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(O)c3)CC2)cc1 Show InChI InChI=1S/C28H34N2O5S/c1-36(34,35)27-11-9-22(10-12-27)21-30-15-4-14-29(17-18-30)16-13-28(33,23-5-2-7-25(31)19-23)24-6-3-8-26(32)20-24/h2-3,5-12,19-20,31-33H,4,13-18,21H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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; not determined				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