Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50145799'   

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))	BDBM50145799 (5-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCCCCC(O)=O)ccc34)cnc2n1 |c:17| Show InChI InChI=1S/C26H25N7O3/c27-24-23-25(32-26(28)31-24)29-14-18(30-23)15-33-20-6-2-1-5-16(20)8-9-17-13-19(10-11-21(17)33)36-12-4-3-7-22(34)35/h1-2,5-6,8-11,13-14H,3-4,7,12,15H2,(H,34,35)(H4,27,28,29,31,32)	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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range : 6.5-8.0				J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50145799 (5-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCCCCC(O)=O)ccc34)cnc2n1 |c:17| Show InChI InChI=1S/C26H25N7O3/c27-24-23-25(32-26(28)31-24)29-14-18(30-23)15-33-20-6-2-1-5-16(20)8-9-17-13-19(10-11-21(17)33)36-12-4-3-7-22(34)35/h1-2,5-6,8-11,13-14H,3-4,7,12,15H2,(H,34,35)(H4,27,28,29,31,32)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range : 9.8-12				J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50145799 (5-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCCCCC(O)=O)ccc34)cnc2n1 |c:17| Show InChI InChI=1S/C26H25N7O3/c27-24-23-25(32-26(28)31-24)29-14-18(30-23)15-33-20-6-2-1-5-16(20)8-9-17-13-19(10-11-21(17)33)36-12-4-3-7-22(34)35/h1-2,5-6,8-11,13-14H,3-4,7,12,15H2,(H,34,35)(H4,27,28,29,31,32)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range : 20-23				J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50145799 (5-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...) Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCCCCC(O)=O)ccc34)cnc2n1 |c:17| Show InChI InChI=1S/C26H25N7O3/c27-24-23-25(32-26(28)31-24)29-14-18(30-23)15-33-20-6-2-1-5-16(20)8-9-17-13-19(10-11-21(17)33)36-12-4-3-7-22(34)35/h1-2,5-6,8-11,13-14H,3-4,7,12,15H2,(H,34,35)(H4,27,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range : 1100-1500				J Med Chem 47: 2475-85 (2004) Article DOI: 10.1021/jm030599o BindingDB Entry DOI: 10.7270/Q2K64HHD
					More data for this Ligand-Target Pair