BDBM50296147 3-tert-butyl-1-isopropyl-1-(2-(4-(4-methoxyphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl)-2-oxoethyl)urea::CHEMBL565190

SMILES: COc1ccc(cc1)C1N(C(=O)CN(C(C)C)C(=O)NC(C)(C)C)c2ccccc2-n2cccc12

InChI Key: InChIKey=VNBSZADQGVZUID-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50296147   

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))	BDBM50296147 (3-tert-butyl-1-isopropyl-1-(2-(4-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C1N(C(=O)CN(C(C)C)C(=O)NC(C)(C)C)c2ccccc2-n2cccc12 Show InChI InChI=1S/C28H34N4O3/c1-19(2)31(27(34)29-28(3,4)5)18-25(33)32-23-11-8-7-10-22(23)30-17-9-12-24(30)26(32)20-13-15-21(35-6)16-14-20/h7-17,19,26H,18H2,1-6H3,(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 4183-90 (2009) Article DOI: 10.1016/j.bmcl.2009.05.114 BindingDB Entry DOI: 10.7270/Q2XP75VT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50296147 (3-tert-butyl-1-isopropyl-1-(2-(4-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C1N(C(=O)CN(C(C)C)C(=O)NC(C)(C)C)c2ccccc2-n2cccc12 Show InChI InChI=1S/C28H34N4O3/c1-19(2)31(27(34)29-28(3,4)5)18-25(33)32-23-11-8-7-10-22(23)30-17-9-12-24(30)26(32)20-13-15-21(35-6)16-14-20/h7-17,19,26H,18H2,1-6H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 4183-90 (2009) Article DOI: 10.1016/j.bmcl.2009.05.114 BindingDB Entry DOI: 10.7270/Q2XP75VT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50296147 (3-tert-butyl-1-isopropyl-1-(2-(4-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C1N(C(=O)CN(C(C)C)C(=O)NC(C)(C)C)c2ccccc2-n2cccc12 Show InChI InChI=1S/C28H34N4O3/c1-19(2)31(27(34)29-28(3,4)5)18-25(33)32-23-11-8-7-10-22(23)30-17-9-12-24(30)26(32)20-13-15-21(35-6)16-14-20/h7-17,19,26H,18H2,1-6H3,(H,29,34)	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	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay				Bioorg Med Chem Lett 19: 4183-90 (2009) Article DOI: 10.1016/j.bmcl.2009.05.114 BindingDB Entry DOI: 10.7270/Q2XP75VT
					More data for this Ligand-Target Pair