BDBM50298087 CHEMBL562404::N-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-2-(methylthio)-6-(piperidin-1-yl)pyrimidin-4-amine

SMILES: CSc1nc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)cc(n1)N1CCCCC1

InChI Key: InChIKey=NXFZZRDMTZDMRZ-FDDCHVKYSA-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 = 50298087   

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))	BDBM50298087 (CHEMBL562404 | N-((2S,3S)-3-(3-bromophenyl)-4-(4-c...) Show SMILES CSc1nc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)cc(n1)N1CCCCC1 |r| Show InChI InChI=1S/C26H30BrClN4S/c1-18(29-24-17-25(31-26(30-24)33-2)32-13-4-3-5-14-32)23(20-7-6-8-21(27)16-20)15-19-9-11-22(28)12-10-19/h6-12,16-18,23H,3-5,13-15H2,1-2H3,(H,29,30,31)/t18-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	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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