Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 583.5 BDBM50412759

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))	BDBM50412759 (CHEMBL491483) Show SMILES Cc1nc2ccccc2n1C1C[C@@H]2CC[C@@H](C1)N2CCC1(CCN(C1)C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C32H40Cl2N4O2/c1-21-35-28-7-5-6-8-29(28)38(21)25-18-23-10-11-24(19-25)37(23)16-14-32(22-9-12-26(33)27(34)17-22)13-15-36(20-32)30(39)40-31(2,3)4/h5-9,12,17,23-25H,10-11,13-16,18-20H2,1-4H3/t23-,24-,32?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	776	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