Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 613.5 BDBM50412760

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50412760 (CHEMBL501077) Show SMILES Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CN(C1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H34Cl2N4O3S/c32-27-13-12-24(20-28(27)33)30(21-36(22-30)41(39,40)26-10-5-2-6-11-26)14-7-17-35-18-15-31(16-19-35)29(38)34-23-37(31)25-8-3-1-4-9-25/h1-6,8-13,20H,7,14-19,21-23H2,(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
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