BDBM50380050 CHEMBL2012622

SMILES: OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccc(F)cc2)s1

InChI Key: InChIKey=XXUMOZOILRWXFV-WKILWMFISA-N

Data: 2 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 2 hits for monomerid = 50380050   

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
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human))	BDBM50380050 (CHEMBL2012622) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(44.91,-18.68,;43.37,-18.7,;42.62,-20.04,;42.59,-17.38,;41.05,-17.39,;40.26,-16.07,;38.72,-16.09,;37.97,-17.44,;38.75,-18.76,;40.29,-18.74,;36.44,-17.45,;35.65,-16.14,;34.11,-16.16,;33.36,-17.49,;34.14,-18.81,;35.69,-18.8,;31.82,-17.51,;31.04,-16.18,;31.07,-18.85,;29.53,-18.87,;28.61,-17.63,;27.15,-18.12,;27.16,-19.67,;25.82,-20.42,;24.5,-19.64,;23.15,-20.39,;21.83,-19.6,;20.49,-20.36,;20.47,-21.9,;19.13,-22.66,;21.81,-22.68,;23.14,-21.92,;28.63,-20.13,)| Show InChI InChI=1S/C24H24FN3O4S/c25-19-9-11-20(12-10-19)32-14-21-27-28-24(33-21)26-23(31)18-7-5-17(6-8-18)16-3-1-15(2-4-16)13-22(29)30/h5-12,15-16H,1-4,13-14H2,(H,29,30)(H,26,28,31)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by...				Bioorg Med Chem Lett 22: 2497-502 (2012) Article DOI: 10.1016/j.bmcl.2012.02.006 BindingDB Entry DOI: 10.7270/Q2VQ33PZ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human))	BDBM50380050 (CHEMBL2012622) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccc(F)cc2)s1 |r,wU:7.10,wD:4.3,(44.91,-18.68,;43.37,-18.7,;42.62,-20.04,;42.59,-17.38,;41.05,-17.39,;40.26,-16.07,;38.72,-16.09,;37.97,-17.44,;38.75,-18.76,;40.29,-18.74,;36.44,-17.45,;35.65,-16.14,;34.11,-16.16,;33.36,-17.49,;34.14,-18.81,;35.69,-18.8,;31.82,-17.51,;31.04,-16.18,;31.07,-18.85,;29.53,-18.87,;28.61,-17.63,;27.15,-18.12,;27.16,-19.67,;25.82,-20.42,;24.5,-19.64,;23.15,-20.39,;21.83,-19.6,;20.49,-20.36,;20.47,-21.9,;19.13,-22.66,;21.81,-22.68,;23.14,-21.92,;28.63,-20.13,)| Show InChI InChI=1S/C24H24FN3O4S/c25-19-9-11-20(12-10-19)32-14-21-27-28-24(33-21)26-23(31)18-7-5-17(6-8-18)16-3-1-15(2-4-16)13-22(29)30/h5-12,15-16H,1-4,13-14H2,(H,29,30)(H,26,28,31)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method				Bioorg Med Chem Lett 22: 2497-502 (2012) Article DOI: 10.1016/j.bmcl.2012.02.006 BindingDB Entry DOI: 10.7270/Q2VQ33PZ
					More data for this Ligand-Target Pair