BDBM395055 US10308615, Example 66::{2-[(1- phenylcyclopropyl) amino]pyrimidin- 5-yl}[3- (trifluoromethyl) phenyl]methanone

SMILES: FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2ccccc2)nc1

InChI Key: InChIKey=XLWPFMGAVDXEOQ-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 = 395055   

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))	BDBM395055 (US10308615, Example 66 | {2-[(1- phenylcyclopropyl...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C21H16F3N3O/c22-21(23,24)17-8-4-5-14(11-17)18(28)15-12-25-19(26-13-15)27-20(9-10-20)16-6-2-1-3-7-16/h1-8,11-13H,9-10H2,(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.3	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
hmuan vanin-1 assay 3 (Homo sapiens (Human))	BDBM395055 (US10308615, Example 66 | {2-[(1- phenylcyclopropyl...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C21H16F3N3O/c22-21(23,24)17-8-4-5-14(11-17)18(28)15-12-25-19(26-13-15)27-20(9-10-20)16-6-2-1-3-7-16/h1-8,11-13H,9-10H2,(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	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
hmuan vanin-1 assay 2 (Homo sapiens (Human))	BDBM395055 (US10308615, Example 66 | {2-[(1- phenylcyclopropyl...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C21H16F3N3O/c22-21(23,24)17-8-4-5-14(11-17)18(28)15-12-25-19(26-13-15)27-20(9-10-20)16-6-2-1-3-7-16/h1-8,11-13H,9-10H2,(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44.8	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