BDBM201316 US9187424, 145::US9187424, 80

SMILES: CCOc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F

InChI Key: InChIKey=YHXYECBSEFNZDA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 201316   

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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201316 (US9187424, 145 | US9187424, 80) Show SMILES CCOc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:10| Show InChI InChI=1S/C25H22F6N2O3/c1-2-35-18-8-4-16(5-9-18)20-14-23(25(29,30)31,33-22(34)21(20)15-32)17-6-10-19(11-7-17)36-13-3-12-24(26,27)28/h4-11H,2-3,12-14H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201316 (US9187424, 145 | US9187424, 80) Show SMILES CCOc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:10| Show InChI InChI=1S/C25H22F6N2O3/c1-2-35-18-8-4-16(5-9-18)20-14-23(25(29,30)31,33-22(34)21(20)15-32)17-6-10-19(11-7-17)36-13-3-12-24(26,27)28/h4-11H,2-3,12-14H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description MGAT2 enzyme was assayed using membranes isolated from Sf9 cells expressing the recombinant human MGAT2 cDNA with 2-monooleoylglycerol and [3H]-oleoy...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201316 (US9187424, 145 | US9187424, 80) Show SMILES CCOc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:10| Show InChI InChI=1S/C25H22F6N2O3/c1-2-35-18-8-4-16(5-9-18)20-14-23(25(29,30)31,33-22(34)21(20)15-32)17-6-10-19(11-7-17)36-13-3-12-24(26,27)28/h4-11H,2-3,12-14H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	310	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description MGAT2 enzyme was assayed using membranes isolated from Sf9 cells expressing the recombinant human MGAT2 cDNA with 2-monooleoylglycerol and [3H]-oleoy...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201316 (US9187424, 145 | US9187424, 80) Show SMILES CCOc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:10| Show InChI InChI=1S/C25H22F6N2O3/c1-2-35-18-8-4-16(5-9-18)20-14-23(25(29,30)31,33-22(34)21(20)15-32)17-6-10-19(11-7-17)36-13-3-12-24(26,27)28/h4-11H,2-3,12-14H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair