BDBM394678 4-[({5-[3- (trifluoromethyl) benzoyl]pyrimidin- 2-yl}amino)methyl] benzamide::US10308615, Example 33

SMILES: NC(=O)c1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cc1

InChI Key: InChIKey=DRIOAXWEHSGQOM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 394678   

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
Pantetheinase (Homo sapiens (Human))	BDBM394678 (4-[({5-[3- (trifluoromethyl) benzoyl]pyrimidin- 2-...) Show SMILES NC(=O)c1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15F3N4O2/c21-20(22,23)16-3-1-2-14(8-16)17(28)15-10-26-19(27-11-15)25-9-12-4-6-13(7-5-12)18(24)29/h1-8,10-11H,9H2,(H2,24,29)(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394678 (4-[({5-[3- (trifluoromethyl) benzoyl]pyrimidin- 2-...) Show SMILES NC(=O)c1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15F3N4O2/c21-20(22,23)16-3-1-2-14(8-16)17(28)15-10-26-19(27-11-15)25-9-12-4-6-13(7-5-12)18(24)29/h1-8,10-11H,9H2,(H2,24,29)(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394678 (4-[({5-[3- (trifluoromethyl) benzoyl]pyrimidin- 2-...) Show SMILES NC(=O)c1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15F3N4O2/c21-20(22,23)16-3-1-2-14(8-16)17(28)15-10-26-19(27-11-15)25-9-12-4-6-13(7-5-12)18(24)29/h1-8,10-11H,9H2,(H2,24,29)(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55.9	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair