Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50033552'   

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 (Rattus norvegicus (rat))	BDBM50033552 (6-(2,3-Dihydro-indol-1-ylmethyl)-5,6,7,8-tetrahydr...) Show SMILES Nc1nc(N)c2CC(CN3CCc4ccccc34)CCc2n1 Show InChI InChI=1S/C17H21N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h1-4,11H,5-10H2,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified DHFR (Dihydrofolate reductase) from rat				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50033552 (6-(2,3-Dihydro-indol-1-ylmethyl)-5,6,7,8-tetrahydr...) Show SMILES Nc1nc(N)c2CC(CN3CCc4ccccc34)CCc2n1 Show InChI InChI=1S/C17H21N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h1-4,11H,5-10H2,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50033552 (6-(2,3-Dihydro-indol-1-ylmethyl)-5,6,7,8-tetrahydr...) Show SMILES Nc1nc(N)c2CC(CN3CCc4ccccc34)CCc2n1 Show InChI InChI=1S/C17H21N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h1-4,11H,5-10H2,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50033552 (6-(2,3-Dihydro-indol-1-ylmethyl)-5,6,7,8-tetrahydr...) Show SMILES Nc1nc(N)c2CC(CN3CCc4ccccc34)CCc2n1 Show InChI InChI=1S/C17H21N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h1-4,11H,5-10H2,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified DHFR (Dihydrofolate reductase) from Pneumocystis carinii.				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair