BDBM50015697 4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-N,N-dimethyl-benzenesulfonamide::CHEMBL302669

SMILES: CN(C)S(=O)(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(N)[nH]c(=O)c2c1

InChI Key: InChIKey=ZDBLFOYEZBGIPZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50015697   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50015697 (4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethy...) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(N)[nH]c(=O)c2c1 Show InChI InChI=1S/C20H21N5O3S/c1-4-11-25(15-6-8-16(9-7-15)29(27,28)24(2)3)13-14-5-10-18-17(12-14)19(26)23-20(21)22-18/h1,5-10,12H,11,13H2,2-3H3,(H3,21,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for 50% inhibition of WI-L2 Dihydrofolate reductase				J Med Chem 33: 2045-51 (1990) BindingDB Entry DOI: 10.7270/Q26Q1XVG
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50015697 (4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethy...) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(N)[nH]c(=O)c2c1 Show InChI InChI=1S/C20H21N5O3S/c1-4-11-25(15-6-8-16(9-7-15)29(27,28)24(2)3)13-14-5-10-18-17(12-14)19(26)23-20(21)22-18/h1,5-10,12H,11,13H2,2-3H3,(H3,21,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The compound was not tested for inhibition of L1210 Thymidylate synthase due to insolubility				J Med Chem 33: 2045-51 (1990) BindingDB Entry DOI: 10.7270/Q26Q1XVG
					More data for this Ligand-Target Pair