null

SMILES: COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)c(Br)c(OC)c1OC

InChI Key: InChIKey=NAUPZBVHOMKGCO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50298955   

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))	BDBM50298955 (CHEMBL574965 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...) Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)c(Br)c(OC)c1OC |(3.97,-30.56,;5.5,-30.4,;6.4,-31.64,;7.94,-31.48,;8.84,-32.73,;10.37,-32.56,;11.28,-33.81,;12.81,-33.65,;13.43,-32.24,;13.72,-34.89,;13.24,-36.36,;14.49,-37.27,;15.74,-36.36,;15.26,-34.9,;16.16,-33.65,;17.19,-36.83,;17.67,-38.3,;17.12,-39.54,;19.21,-38.3,;19.69,-36.83,;18.44,-35.93,;18.44,-34.39,;14.49,-38.81,;15.82,-39.58,;15.82,-41.12,;14.49,-41.88,;14.49,-43.43,;13.16,-41.12,;13.15,-39.58,;11.82,-38.81,;8.21,-34.13,;9.12,-35.38,;6.69,-34.3,;6.06,-35.7,;4.53,-35.86,;5.78,-33.05,;4.24,-33.21,;3.34,-31.97,)| Show InChI InChI=1S/C27H27BrCl2N4O4/c1-14-7-8-15(2)33(14)27-16(3)23(32-34(27)20-10-9-18(29)12-19(20)30)26(35)31-13-17-11-21(36-4)24(37-5)25(38-6)22(17)28/h7-12H,13H2,1-6H3,(H,31,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells				Bioorg Med Chem 17: 5549-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.027 BindingDB Entry DOI: 10.7270/Q2XK8GHD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50298955 (CHEMBL574965 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...) Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)c(Br)c(OC)c1OC |(3.97,-30.56,;5.5,-30.4,;6.4,-31.64,;7.94,-31.48,;8.84,-32.73,;10.37,-32.56,;11.28,-33.81,;12.81,-33.65,;13.43,-32.24,;13.72,-34.89,;13.24,-36.36,;14.49,-37.27,;15.74,-36.36,;15.26,-34.9,;16.16,-33.65,;17.19,-36.83,;17.67,-38.3,;17.12,-39.54,;19.21,-38.3,;19.69,-36.83,;18.44,-35.93,;18.44,-34.39,;14.49,-38.81,;15.82,-39.58,;15.82,-41.12,;14.49,-41.88,;14.49,-43.43,;13.16,-41.12,;13.15,-39.58,;11.82,-38.81,;8.21,-34.13,;9.12,-35.38,;6.69,-34.3,;6.06,-35.7,;4.53,-35.86,;5.78,-33.05,;4.24,-33.21,;3.34,-31.97,)| Show InChI InChI=1S/C27H27BrCl2N4O4/c1-14-7-8-15(2)33(14)27-16(3)23(32-34(27)20-10-9-18(29)12-19(20)30)26(35)31-13-17-11-21(36-4)24(37-5)25(38-6)22(17)28/h7-12H,13H2,1-6H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	553	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells				Bioorg Med Chem 17: 5549-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.027 BindingDB Entry DOI: 10.7270/Q2XK8GHD
					More data for this Ligand-Target Pair