Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50127149'   

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 (Mycobacterium avium)	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Dihydrohydrofolate reductase(DHFR) of Mycobacterium avium				J Med Chem 46: 1726-36 (2003) Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Dihydrohydrofolate reductase(DHFR) of Pneumocystis carinii				J Med Chem 46: 1726-36 (2003) Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition Dihydrohydrofolate reductase(DHFR) of rat liver				J Med Chem 46: 1726-36 (2003) Article DOI: 10.1021/jm020466n BindingDB Entry DOI: 10.7270/Q2CR5SRW
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50127149 (3-{3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCOc1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-7-14(10-16(19)11-17-13-25-22(24)26-20(17)23)4-3-9-30-18-6-2-5-15(12-18)21(27)28/h2,5-8,10,12-13H,9,11H2,1H3,(H,27,28)(H4,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase of rat liver				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
					More data for this Ligand-Target Pair