Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50138691'   

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)	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells				J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Medical University Curated by ChEMBL					Assay Description Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase				J Med Chem 31: 366-70 (1988) BindingDB Entry DOI: 10.7270/Q2BV7JTC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli				J Med Chem 24: 538-44 (1981) BindingDB Entry DOI: 10.7270/Q2GF0WQM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Salmonella enterica subsp. enterica serovar Typhi)	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli dihydrofolate reductase				J Med Chem 34: 46-54 (1991) BindingDB Entry DOI: 10.7270/Q2X92CH4
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	19.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uniroyal Chemical Co., Inc. Curated by ChEMBL					Assay Description Inhibition constant against binding of Escherichia coli dihydrofolate reductase				J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase				J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells				J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase from bovine liver				J Med Chem 24: 538-44 (1981) BindingDB Entry DOI: 10.7270/Q2GF0WQM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against chicken liver dihydrofolate reductase				J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50138691 (5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...) Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.				J Med Chem 25: 435-40 (1982) BindingDB Entry DOI: 10.7270/Q2DF6TDD
					More data for this Ligand-Target Pair