BDBM50298075 CHEMBL563330::N4-((2S,3S)-2-(3-bromophenyl)-1-(4-chlorophenyl)pentan-3-yl)-N6-cycloheptylpyrimidine-4,6-diamine

SMILES: CC[C@H](Nc1cc(NC2CCCCCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1

InChI Key: InChIKey=SNIWCKNLSLJDJE-UIOOFZCWSA-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 = 50298075   

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))	BDBM50298075 (CHEMBL563330 | N4-((2S,3S)-2-(3-bromophenyl)-1-(4-...) Show SMILES CC[C@H](Nc1cc(NC2CCCCCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 |r| Show InChI InChI=1S/C28H34BrClN4/c1-2-26(34-28-18-27(31-19-32-28)33-24-10-5-3-4-6-11-24)25(21-8-7-9-22(29)17-21)16-20-12-14-23(30)15-13-20/h7-9,12-15,17-19,24-26H,2-6,10-11,16H2,1H3,(H2,31,32,33,34)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	636	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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