BDBM50186740 CHEMBL381706::N-((1H-tetrazol-5-yl)methyl)-4-(6-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1,1,1-trifluoro-2-oxohexan-3-yl)benzamide

SMILES: Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NCc2nnn[nH]2)c(=O)[nH]1

InChI Key: InChIKey=AWYPXHGWECVZMX-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 = 50186740   

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
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human))	BDBM50186740 (CHEMBL381706 | N-((1H-tetrazol-5-yl)methyl)-4-(6-(...) Show SMILES Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NCc2nnn[nH]2)c(=O)[nH]1 Show InChI InChI=1S/C19H20F3N9O3/c20-19(21,22)14(32)11(2-1-3-12-15(23)26-18(24)27-17(12)34)9-4-6-10(7-5-9)16(33)25-8-13-28-30-31-29-13/h4-7,11H,1-3,8H2,(H,25,33)(H,28,29,30,31)(H5,23,24,26,27,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant GAR Tfase				J Med Chem 49: 2998-3002 (2006) Article DOI: 10.1021/jm0601147 BindingDB Entry DOI: 10.7270/Q2VX0H9X
					More data for this Ligand-Target Pair
AICAR transformylase (Homo sapiens (Human))	BDBM50186740 (CHEMBL381706 | N-((1H-tetrazol-5-yl)methyl)-4-(6-(...) Show SMILES Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NCc2nnn[nH]2)c(=O)[nH]1 Show InChI InChI=1S/C19H20F3N9O3/c20-19(21,22)14(32)11(2-1-3-12-15(23)26-18(24)27-17(12)34)9-4-6-10(7-5-9)16(33)25-8-13-28-30-31-29-13/h4-7,11H,1-3,8H2,(H,25,33)(H,28,29,30,31)(H5,23,24,26,27,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant AICAR Tfase				J Med Chem 49: 2998-3002 (2006) Article DOI: 10.1021/jm0601147 BindingDB Entry DOI: 10.7270/Q2VX0H9X
					More data for this Ligand-Target Pair