BDBM50298063 CHEMBL562148::N-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidin-4-amine

SMILES: C[C@H](Nc1cc(ncn1)N1CCC(CC1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1

InChI Key: InChIKey=RGDRJDMALWKWMA-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 = 50298063   

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))	BDBM50298063 (CHEMBL562148 | N-((2S,3S)-3-(3-bromophenyl)-4-(4-c...) Show SMILES C[C@H](Nc1cc(ncn1)N1CCC(CC1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 |r| Show InChI InChI=1S/C26H27BrClF3N4/c1-17(23(19-3-2-4-21(27)14-19)13-18-5-7-22(28)8-6-18)34-24-15-25(33-16-32-24)35-11-9-20(10-12-35)26(29,30)31/h2-8,14-17,20,23H,9-13H2,1H3,(H,32,33,34)/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	75	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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