Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50033541'   

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))	BDBM50033541 (6-[(3,4-Dichloro-phenylamino)-methyl]-5,6,7,8-tetr...) Show SMILES Nc1nc(N)c2CC(CNc3ccc(Cl)c(Cl)c3)CCc2n1 Show InChI InChI=1S/C15H17Cl2N5/c16-11-3-2-9(6-12(11)17)20-7-8-1-4-13-10(5-8)14(18)22-15(19)21-13/h2-3,6,8,20H,1,4-5,7H2,(H4,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified dihydrofolate reductase from rat				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50033541 (6-[(3,4-Dichloro-phenylamino)-methyl]-5,6,7,8-tetr...) Show SMILES Nc1nc(N)c2CC(CNc3ccc(Cl)c(Cl)c3)CCc2n1 Show InChI InChI=1S/C15H17Cl2N5/c16-11-3-2-9(6-12(11)17)20-7-8-1-4-13-10(5-8)14(18)22-15(19)21-13/h2-3,6,8,20H,1,4-5,7H2,(H4,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50033541 (6-[(3,4-Dichloro-phenylamino)-methyl]-5,6,7,8-tetr...) Show SMILES Nc1nc(N)c2CC(CNc3ccc(Cl)c(Cl)c3)CCc2n1 Show InChI InChI=1S/C15H17Cl2N5/c16-11-3-2-9(6-12(11)17)20-7-8-1-4-13-10(5-8)14(18)22-15(19)21-13/h2-3,6,8,20H,1,4-5,7H2,(H4,18,19,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50033541 (6-[(3,4-Dichloro-phenylamino)-methyl]-5,6,7,8-tetr...) Show SMILES Nc1nc(N)c2CC(CNc3ccc(Cl)c(Cl)c3)CCc2n1 Show InChI InChI=1S/C15H17Cl2N5/c16-11-3-2-9(6-12(11)17)20-7-8-1-4-13-10(5-8)14(18)22-15(19)21-13/h2-3,6,8,20H,1,4-5,7H2,(H4,18,19,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified dihydrofolate reductase from Pneumocystis carinii.				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair