Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50057315'   

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))	BDBM50057315 (5-(Naphthalen-1-ylsulfanylmethyl)-7H-pyrrolo[2,3-d...) Show SMILES Nc1nc(N)c2c(CSc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H15N5S/c18-15-14-11(8-20-16(14)22-17(19)21-15)9-23-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H5,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057315 (5-(Naphthalen-1-ylsulfanylmethyl)-7H-pyrrolo[2,3-d...) Show SMILES Nc1nc(N)c2c(CSc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H15N5S/c18-15-14-11(8-20-16(14)22-17(19)21-15)9-23-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H5,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	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)	BDBM50057315 (5-(Naphthalen-1-ylsulfanylmethyl)-7H-pyrrolo[2,3-d...) Show SMILES Nc1nc(N)c2c(CSc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H15N5S/c18-15-14-11(8-20-16(14)22-17(19)21-15)9-23-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H5,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	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)	BDBM50057315 (5-(Naphthalen-1-ylsulfanylmethyl)-7H-pyrrolo[2,3-d...) Show SMILES Nc1nc(N)c2c(CSc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H15N5S/c18-15-14-11(8-20-16(14)22-17(19)21-15)9-23-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H5,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair