Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 582.5 BDBM50124961

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

Found 2 hits 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))	BDBM50124961 ((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C1CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C30H40BrN5O2/c1-5-38-34-27(22-8-10-25(31)11-9-22)23-12-16-36(17-13-23)30(4)14-18-35(19-15-30)29(37)26-20(2)32-28(24-6-7-24)33-21(26)3/h8-11,23-24H,5-7,12-19H2,1-4H3/b34-27-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124961 ((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C1CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C30H40BrN5O2/c1-5-38-34-27(22-8-10-25(31)11-9-22)23-12-16-36(17-13-23)30(4)14-18-35(19-15-30)29(37)26-20(2)32-28(24-6-7-24)33-21(26)3/h8-11,23-24H,5-7,12-19H2,1-4H3/b34-27-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair