BDBM50392313 CHEMBL2153653

SMILES: CN=C(NS(=O)(=O)c1ccc(OCC(N)=O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=UDENLTLNSRYXSD-UHFFFAOYSA-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 = 50392313   

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 (Homo sapiens (Human))	BDBM50392313 (CHEMBL2153653) Show SMILES CN=C(NS(=O)(=O)c1ccc(OCC(N)=O)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:22| Show InChI InChI=1S/C25H24ClN5O4S/c1-28-25(30-36(33,34)21-13-11-20(12-14-21)35-16-23(27)32)31-15-22(17-5-3-2-4-6-17)24(29-31)18-7-9-19(26)10-8-18/h2-14,22H,15-16H2,1H3,(H2,27,32)(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jenrin Discovery Curated by ChEMBL					Assay Description Displacement of 3[H]ligand from recombinant human CB1 receptor				Bioorg Med Chem Lett 22: 6173-80 (2012) Article DOI: 10.1016/j.bmcl.2012.08.004 BindingDB Entry DOI: 10.7270/Q2BV7HR2
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