Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 643.6 BDBM50412758

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))	BDBM50412758 (CHEMBL448199) Show SMILES Clc1ccc(cc1Cl)C1(CCN(CC1)S(=O)(=O)c1ccccc1)OCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C32H36Cl2N4O4S/c33-28-12-11-25(23-29(28)34)32(15-19-37(20-16-32)43(40,41)27-9-5-2-6-10-27)42-22-21-36-17-13-31(14-18-36)30(39)35-24-38(31)26-7-3-1-4-8-26/h1-12,23H,13-22,24H2,(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+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
					More data for this Ligand-Target Pair