Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50035483'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program Curated by ChEMBL					Assay Description Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay				Antimicrob Agents Chemother 54: 2603-10 (2010) Article DOI: 10.1128/AAC.01526-09 BindingDB Entry DOI: 10.7270/Q2VX0GQW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035483 (5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1 Show InChI InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
					More data for this Ligand-Target Pair