BDBM50197768 CHEMBL241251::methyl 4-{[2-((E)-{[amino(imino)methyl]hydrazono}methyl)-4-bromophenoxy]methyl}benzoate

SMILES: [#6]-[#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1

InChI Key: InChIKey=SRLVQTIMOXASFQ-UHFFFAOYSA-N

Data: 2 IC50

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 = 50197768   

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
CCR5/mu opioid receptor complex (Homo sapiens (Human))	BDBM50197768 (CHEMBL241251 | methyl 4-{[2-((E)-{[amino(imino)met...) Show SMILES [#6]-[#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:17.17| Show InChI InChI=1S/C17H17BrN4O3/c1-24-16(23)12-4-2-11(3-5-12)10-25-15-7-6-14(18)8-13(15)9-21-22-17(19)20/h2-9H,10H2,1H3,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197768 (CHEMBL241251 | methyl 4-{[2-((E)-{[amino(imino)met...) Show SMILES [#6]-[#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:17.17| Show InChI InChI=1S/C17H17BrN4O3/c1-24-16(23)12-4-2-11(3-5-12)10-25-15-7-6-14(18)8-13(15)9-21-22-17(19)20/h2-9H,10H2,1H3,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 231-4 (2006) Article DOI: 10.1016/j.bmcl.2006.09.052 BindingDB Entry DOI: 10.7270/Q2FQ9W8N
					More data for this Ligand-Target Pair