BDBM50006905 2-{4-[(4-Oxo-3,4-dihydro-benzo[d][1,2,3]triazin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL316019

SMILES: OC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nn[nH]c(=O)c3c2)cc1)C(O)=O

InChI Key: InChIKey=YKORUANEKZOBMT-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 = 50006905   

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
Folylpoly-gamma-glutamate synthetase (Mus musculus)	BDBM50006905 (2-{4-[(4-Oxo-3,4-dihydro-benzo[d][1,2,3]triazin-6-...) Show SMILES OC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nn[nH]c(=O)c3c2)cc1)C(O)=O Show InChI InChI=1S/C20H19N5O6/c26-17(27)8-7-16(20(30)31)22-18(28)12-2-4-13(5-3-12)21-10-11-1-6-15-14(9-11)19(29)24-25-23-15/h1-6,9,16,21H,7-8,10H2,(H,22,28)(H,26,27)(H,30,31)(H,23,24,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity of the compound towards Folyl polyglutamate synthetase (FPGS)				J Med Chem 35: 2626-30 (1992) BindingDB Entry DOI: 10.7270/Q2DV1HVR
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50006905 (2-{4-[(4-Oxo-3,4-dihydro-benzo[d][1,2,3]triazin-6-...) Show SMILES OC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nn[nH]c(=O)c3c2)cc1)C(O)=O Show InChI InChI=1S/C20H19N5O6/c26-17(27)8-7-16(20(30)31)22-18(28)12-2-4-13(5-3-12)21-10-11-1-6-15-14(9-11)19(29)24-25-23-15/h1-6,9,16,21H,7-8,10H2,(H,22,28)(H,26,27)(H,30,31)(H,23,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound was tested for the inhibition of recombinant mouse thymidylate synthase, competitive with 5,10-methylenetetrahydrofolate as variable substra...				J Med Chem 35: 2626-30 (1992) BindingDB Entry DOI: 10.7270/Q2DV1HVR
					More data for this Ligand-Target Pair