BDBM50012243 2-Methyl-6-{[prop-2-ynyl-(3-trifluoromethyl-phenyl)-amino]-methyl}-3H-quinazolin-4-one::CHEMBL301423

SMILES: Cc1nc2ccc(CN(CC#C)c3cccc(c3)C(F)(F)F)cc2c(=O)[nH]1

InChI Key: InChIKey=QDHQRSGEHWQARM-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 = 50012243   

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
Thymidylate synthase (Homo sapiens (Human))	BDBM50012243 (2-Methyl-6-{[prop-2-ynyl-(3-trifluoromethyl-phenyl...) Show SMILES Cc1nc2ccc(CN(CC#C)c3cccc(c3)C(F)(F)F)cc2c(=O)[nH]1 Show InChI InChI=1S/C20H16F3N3O/c1-3-9-26(16-6-4-5-15(11-16)20(21,22)23)12-14-7-8-18-17(10-14)19(27)25-13(2)24-18/h1,4-8,10-11H,9,12H2,2H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (Ki)				J Med Chem 34: 1925-34 (1991) BindingDB Entry DOI: 10.7270/Q25Q4V1Q
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50012243 (2-Methyl-6-{[prop-2-ynyl-(3-trifluoromethyl-phenyl...) Show SMILES Cc1nc2ccc(CN(CC#C)c3cccc(c3)C(F)(F)F)cc2c(=O)[nH]1 Show InChI InChI=1S/C20H16F3N3O/c1-3-9-26(16-6-4-5-15(11-16)20(21,22)23)12-14-7-8-18-17(10-14)19(27)25-13(2)24-18/h1,4-8,10-11H,9,12H2,2H3,(H,24,25,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Thymidylate synthase of E. coli (Ki)				J Med Chem 34: 1925-34 (1991) BindingDB Entry DOI: 10.7270/Q25Q4V1Q
					More data for this Ligand-Target Pair