Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50038264'   

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))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with human dihydrofolate reductase using equation 4				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	6.6	n/a
University of Sydney Curated by ChEMBL					Assay Description Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with human dihydrofolate reductase using equation 11				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	6.6	n/a
University of Sydney Curated by ChEMBL					Assay Description Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with human dihydrofolate reductase using equations 15 ...				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with human dihydrofolate reductase using equations 11 a...				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	6.6	n/a
University of Sydney Curated by ChEMBL					Assay Description Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with human dihydrofolate reductase using equation 4				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with human dihydrofolate reductase using equation 16				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	6.6	n/a
University of Sydney Curated by ChEMBL					Assay Description Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50038264 (2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...) Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14| Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with human dihydrofolate reductase using equation 11				J Med Chem 37: 4211-21 (1995) BindingDB Entry DOI: 10.7270/Q2WW7GQH
					More data for this Ligand-Target Pair