Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50100253'   

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 (Rattus norvegicus (rat))	BDBM50100253 (2-Amino-5-[(3-chloro-phenylamino)-methyl]-3,7-dihy...) Show SMILES Nc1nc2[nH]cc(CNc3cccc(Cl)c3)c2c(=O)[nH]1 Show InChI InChI=1S/C13H12ClN5O/c14-8-2-1-3-9(4-8)16-5-7-6-17-11-10(7)12(20)19-13(15)18-11/h1-4,6,16H,5H2,(H4,15,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50100253 (2-Amino-5-[(3-chloro-phenylamino)-methyl]-3,7-dihy...) Show SMILES Nc1nc2[nH]cc(CNc3cccc(Cl)c3)c2c(=O)[nH]1 Show InChI InChI=1S/C13H12ClN5O/c14-8-2-1-3-9(4-8)16-5-7-6-17-11-10(7)12(20)19-13(15)18-11/h1-4,6,16H,5H2,(H4,15,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
					More data for this Ligand-Target Pair