BDBM50124963 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-methoxy-4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL343520

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

InChI Key: InChIKey=PUXUJRVJBWERSP-MKCFTUBBSA-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 = 50124963   

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))	BDBM50124963 ((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(OC)nc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H38BrN5O3/c1-6-37-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(36-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	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))	BDBM50124963 ((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(OC)nc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H38BrN5O3/c1-6-37-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(36-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	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