Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 543.4 BDBM50134067

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))	BDBM50134067 ((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccc[n+]1[O-])c1ccc(Br)cc1 Show InChI InChI=1S/C27H35BrN4O3/c1-4-35-29-24(21-7-9-23(28)10-8-21)22-11-16-31(17-12-22)27(3)13-18-30(19-14-27)26(33)25-20(2)6-5-15-32(25)34/h5-10,15,22H,4,11-14,16-19H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL					Assay Description Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)				J Med Chem 46: 4501-15 (2003) Article DOI: 10.1021/jm030265z BindingDB Entry DOI: 10.7270/Q2SB46GG
					More data for this Ligand-Target Pair