BDBM50024461 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-(3-fluoro-benzyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL22668

SMILES: Nc1nc2ccc(CN(Cc3cccc(F)c3)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key: InChIKey=KBTQPTIDWDQLAO-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50024461   

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
GAR transformylase (Mus musculus)	BDBM50024461 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...) Show SMILES Nc1nc2ccc(CN(Cc3cccc(F)c3)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C28H26FN5O6/c29-19-3-1-2-16(12-19)14-34(15-17-4-9-22-21(13-17)26(38)33-28(30)32-22)20-7-5-18(6-8-20)25(37)31-23(27(39)40)10-11-24(35)36/h1-9,12-13,23H,10-11,14-15H2,(H,31,37)(H,35,36)(H,39,40)(H3,30,32,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y				J Med Chem 30: 1254-6 (1987) BindingDB Entry DOI: 10.7270/Q2VX0FHS
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