Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM18251'   

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 (Escherichia coli)	BDBM18251 (6-[(3-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,...) Show SMILES CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14ClN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-4-7(15)6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18251 (6-[(3-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,...) Show SMILES CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14ClN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-4-7(15)6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18251 (6-[(3-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,...) Show SMILES CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14ClN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-4-7(15)6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18251 (6-[(3-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,...) Show SMILES CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14ClN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-4-7(15)6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18251 (6-[(3-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,...) Show SMILES CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14ClN5S/c1-2-9-10-11(16)18-14(17)20-12(10)19-13(9)21-8-5-3-4-7(15)6-8/h3-6H,2H2,1H3,(H5,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair