BDBM50413758 CHEMBL2113258

SMILES: C[C@H](NC(=O)C(C)(C)Oc1ccncc1)[C@H](Cc1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=IFMIHWYHYXZLKK-MBSDFSHPSA-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 = 50413758   

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))	BDBM50413758 (CHEMBL2113258) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccncc1)[C@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27ClN2O2/c1-18(28-24(29)25(2,3)30-22-13-15-27-16-14-22)23(20-7-5-4-6-8-20)17-19-9-11-21(26)12-10-19/h4-16,18,23H,17H2,1-3H3,(H,28,29)/t18-,23-/m0/s1	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	17.0	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Antagonist activity against human recombinant cannabinoid-1 receptor				Bioorg Med Chem Lett 19: 2990-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.037 BindingDB Entry DOI: 10.7270/Q2CN7543
					More data for this Ligand-Target Pair