Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM18227'   

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)	BDBM18227 (2,4-diamino-5-deazapteridine, 6 | 6-[3-({2,4-diami...) Show SMILES COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...				J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18227 (2,4-diamino-5-deazapteridine, 6 | 6-[3-({2,4-diami...) Show SMILES COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	37
Harvard Medical School					Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...				J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18227 (2,4-diamino-5-deazapteridine, 6 | 6-[3-({2,4-diami...) Show SMILES COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...				J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus cereus (ATCC 14579))	BDBM18227 (2,4-diamino-5-deazapteridine, 6 | 6-[3-({2,4-diami...) Show SMILES COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	7.0	25
University of Connecticut at Storrs					Assay Description Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...				Antimicrob Agents Chemother 50: 3435-43 (2006) Article DOI: 10.1128/AAC.00386-06 BindingDB Entry DOI: 10.7270/Q2FQ9TVF
					More data for this Ligand-Target Pair