BDBM50106998 4-(3-Phenyl-propyl)-1-[4-phenyl-1-(thiophene-2-sulfonyl)-pyrrolidin-3-ylmethyl]-piperidin-4-ol::CHEMBL432010

SMILES: OC1(CCCc2ccccc2)CCN(CC2CN(C[C@@H]2c2ccccc2)S(=O)(=O)c2cccs2)CC1

InChI Key: InChIKey=MDZZMKUJQUEUHZ-SSYAZFEXSA-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 = 50106998   

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 5 (Homo sapiens (Human))	BDBM50106998 (4-(3-Phenyl-propyl)-1-[4-phenyl-1-(thiophene-2-sul...) Show SMILES OC1(CCCc2ccccc2)CCN(CC2CN(C[C@@H]2c2ccccc2)S(=O)(=O)c2cccs2)CC1 Show InChI InChI=1S/C29H36N2O3S2/c32-29(15-7-11-24-9-3-1-4-10-24)16-18-30(19-17-29)21-26-22-31(36(33,34)28-14-8-20-35-28)23-27(26)25-12-5-2-6-13-25/h1-6,8-10,12-14,20,26-27,32H,7,11,15-19,21-23H2/t26?,27-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]-MIP-1 alpha to C-C chemokine receptor type 5 in Chinese hamster ovary (CHO) cell membranes				Bioorg Med Chem Lett 11: 3137-41 (2001) BindingDB Entry DOI: 10.7270/Q2XW4J4W
					More data for this Ligand-Target Pair