Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50064044'   

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)	BDBM50064044 ((S)-2-[4-(2,4-Diamino-5,8-dihydro-6H-pyrido[4',3':...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc3oc2n1 Show InChI InChI=1S/C22H24N6O6/c23-18-17-13-7-8-28(10-15(13)34-20(17)27-22(24)26-18)9-11-1-3-12(4-2-11)19(31)25-14(21(32)33)5-6-16(29)30/h1-4,14H,5-10H2,(H,25,31)(H,29,30)(H,32,33)(H4,23,24,26,27)/t14-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated against CCRF-CEM Dihydrofolate reductase enzyme in M. avium.				J Med Chem 41: 1409-16 (1998) Article DOI: 10.1021/jm9705420 BindingDB Entry DOI: 10.7270/Q2513XB9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50064044 ((S)-2-[4-(2,4-Diamino-5,8-dihydro-6H-pyrido[4',3':...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc3oc2n1 Show InChI InChI=1S/C22H24N6O6/c23-18-17-13-7-8-28(10-15(13)34-20(17)27-22(24)26-18)9-11-1-3-12(4-2-11)19(31)25-14(21(32)33)5-6-16(29)30/h1-4,14H,5-10H2,(H,25,31)(H,29,30)(H,32,33)(H4,23,24,26,27)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of P. carinii dihydrofolate reductase				J Med Chem 41: 1409-16 (1998) Article DOI: 10.1021/jm9705420 BindingDB Entry DOI: 10.7270/Q2513XB9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50064044 ((S)-2-[4-(2,4-Diamino-5,8-dihydro-6H-pyrido[4',3':...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc3oc2n1 Show InChI InChI=1S/C22H24N6O6/c23-18-17-13-7-8-28(10-15(13)34-20(17)27-22(24)26-18)9-11-1-3-12(4-2-11)19(31)25-14(21(32)33)5-6-16(29)30/h1-4,14H,5-10H2,(H,25,31)(H,29,30)(H,32,33)(H4,23,24,26,27)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of rat liver				J Med Chem 41: 1409-16 (1998) Article DOI: 10.1021/jm9705420 BindingDB Entry DOI: 10.7270/Q2513XB9
					More data for this Ligand-Target Pair