BDBM50298090 CHEMBL559617::N4-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-N6-cyclohexyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

SMILES: C[C@H](Nc1cc(NC2CCCCC2)nc(n1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1

InChI Key: InChIKey=KHXHSQFZXYPKMP-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 = 50298090   

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))	BDBM50298090 (CHEMBL559617 | N4-((2S,3S)-3-(3-bromophenyl)-4-(4-...) Show SMILES C[C@H](Nc1cc(NC2CCCCC2)nc(n1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 |r| Show InChI InChI=1S/C27H29BrClF3N4/c1-17(23(19-6-5-7-20(28)15-19)14-18-10-12-21(29)13-11-18)33-24-16-25(34-22-8-3-2-4-9-22)36-26(35-24)27(30,31)32/h5-7,10-13,15-17,22-23H,2-4,8-9,14H2,1H3,(H2,33,34,35,36)/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	22.4	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
					More data for this Ligand-Target Pair