null

SMILES: CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F)c1ccc(Br)cc1

InChI Key: InChIKey=NGPXNGHDMCPSGE-BGDIREAQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124941   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50124941 ((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)C(F)(F)F)c1ccc(Br)cc1 Show InChI InChI=1S/C28H35BrF3N5O2/c1-5-39-35-24(20-6-8-22(29)9-7-20)21-10-14-37(15-11-21)27(4)12-16-36(17-13-27)25(38)23-18(2)33-26(28(30,31)32)34-19(23)3/h6-9,21H,5,10-17H2,1-4H3/b35-24-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	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))	BDBM50124941 ((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)C(F)(F)F)c1ccc(Br)cc1 Show InChI InChI=1S/C28H35BrF3N5O2/c1-5-39-35-24(20-6-8-22(29)9-7-20)21-10-14-37(15-11-21)27(4)12-16-36(17-13-27)25(38)23-18(2)33-26(28(30,31)32)34-19(23)3/h6-9,21H,5,10-17H2,1-4H3/b35-24-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	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