BDBM50124952 (4-{(4-Bromo-phenyl)-[(E)-2,2,2-trifluoro-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL141201

SMILES: Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC(F)(F)F)\c1ccc(Br)cc1

InChI Key: InChIKey=ZERPEGMBBREZSL-BCJTWVECSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124952   

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))	BDBM50124952 ((4-{(4-Bromo-phenyl)-[(E)-2,2,2-trifluoro-ethoxyim...) Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC(F)(F)F)\c1ccc(Br)cc1 Show InChI InChI=1S/C27H33BrF3N5O2/c1-18-23(19(2)33-17-32-18)25(37)35-14-10-26(3,11-15-35)36-12-8-21(9-13-36)24(34-38-16-27(29,30)31)20-4-6-22(28)7-5-20/h4-7,17,21H,8-16H2,1-3H3/b34-24-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50124952 ((4-{(4-Bromo-phenyl)-[(E)-2,2,2-trifluoro-ethoxyim...) Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC(F)(F)F)\c1ccc(Br)cc1 Show InChI InChI=1S/C27H33BrF3N5O2/c1-18-23(19(2)33-17-32-18)25(37)35-14-10-26(3,11-15-35)36-12-8-21(9-13-36)24(34-38-16-27(29,30)31)20-4-6-22(28)7-5-20/h4-7,17,21H,8-16H2,1-3H3/b34-24-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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