BDBM50298077 CHEMBL560345::N4-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-N6-butyl-2-methylpyrimidine-4,6-diamine

SMILES: CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc(C)n1

InChI Key: InChIKey=REEBEXNBKISNAZ-GAJHUEQPSA-N

Data: 1 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 1 hit for monomerid = 50298077   

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
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50298077 (CHEMBL560345 | N4-((2S,3S)-3-(3-bromophenyl)-4-(4-...) Show SMILES CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc(C)n1 |r| Show InChI InChI=1S/C25H30BrClN4/c1-4-5-13-28-24-16-25(31-18(3)30-24)29-17(2)23(20-7-6-8-21(26)15-20)14-19-9-11-22(27)12-10-19/h6-12,15-17,23H,4-5,13-14H2,1-3H3,(H2,28,29,30,31)/t17-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from cannabinoid CB1 receptor in Sprague-Dawley rat cerebellar membrane by liquid scintillation spectrometry				Bioorg Med Chem Lett 19: 4692-7 (2009) Article DOI: 10.1016/j.bmcl.2009.06.069 BindingDB Entry DOI: 10.7270/Q2PK0G65
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