BDBM50298921 CHEMBL574970::N-(2-Bromo-3,4,5-trimethoxybenzyl)1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide

SMILES: COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)c(Br)c(OC)c1OC

InChI Key: InChIKey=DGADSFBSFLVVRU-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50298921   

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))	BDBM50298921 (CHEMBL574970 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...) Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)c(Br)c(OC)c1OC |(44.41,-4.05,;43.07,-4.82,;41.74,-4.05,;40.4,-4.82,;39.07,-4.05,;37.73,-4.82,;36.4,-4.05,;35.07,-4.82,;35.07,-6.36,;33.73,-4.05,;33.57,-2.51,;32.07,-2.19,;31.3,-3.53,;32.32,-4.67,;32.01,-6.18,;29.76,-3.69,;28.73,-2.54,;29.05,-1.04,;27.32,-3.17,;27.49,-4.7,;28.99,-5.02,;29.62,-6.43,;31.44,-.78,;29.9,-.62,;29.28,.78,;30.19,2.03,;29.56,3.43,;31.72,1.87,;32.34,.46,;33.88,.3,;39.07,-2.51,;37.73,-1.74,;40.4,-1.74,;40.4,-.2,;41.74,.57,;41.74,-2.51,;43.07,-1.74,;44.41,-2.51,)| Show InChI InChI=1S/C27H27BrF2N4O4/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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	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))	BDBM50298921 (CHEMBL574970 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...) Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)c(Br)c(OC)c1OC |(44.41,-4.05,;43.07,-4.82,;41.74,-4.05,;40.4,-4.82,;39.07,-4.05,;37.73,-4.82,;36.4,-4.05,;35.07,-4.82,;35.07,-6.36,;33.73,-4.05,;33.57,-2.51,;32.07,-2.19,;31.3,-3.53,;32.32,-4.67,;32.01,-6.18,;29.76,-3.69,;28.73,-2.54,;29.05,-1.04,;27.32,-3.17,;27.49,-4.7,;28.99,-5.02,;29.62,-6.43,;31.44,-.78,;29.9,-.62,;29.28,.78,;30.19,2.03,;29.56,3.43,;31.72,1.87,;32.34,.46,;33.88,.3,;39.07,-2.51,;37.73,-1.74,;40.4,-1.74,;40.4,-.2,;41.74,.57,;41.74,-2.51,;43.07,-1.74,;44.41,-2.51,)| Show InChI InChI=1S/C27H27BrF2N4O4/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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	373	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