Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50001343   

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 (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50008287 (2-{4-[2-(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-yl)-...) Show SMILES CC(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H24N6O5/c1-11(8-12-9-15-18(23)27-22(24)28-19(15)25-10-12)13-2-4-14(5-3-13)20(31)26-16(21(32)33)6-7-17(29)30/h2-5,9-11,16H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50008285 (2-{4-[1-(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylme...) Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C23H26N6O5/c1-2-13(9-12-10-16-19(24)28-23(25)29-20(16)26-11-12)14-3-5-15(6-4-14)21(32)27-17(22(33)34)7-8-18(30)31/h3-6,10-11,13,17H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,24,25,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50014935 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) Show SMILES CC(CC1CNc2nc(N)[nH]c(=O)c2C1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H27N5O6/c1-11(8-12-9-15-18(24-10-12)26-22(23)27-20(15)31)13-2-4-14(5-3-13)19(30)25-16(21(32)33)6-7-17(28)29/h2-5,11-12,16H,6-10H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50014936 (2-{4-[1-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...) Show SMILES CCC(CC1CNc2nc(N)[nH]c(=O)c2C1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C23H29N5O6/c1-2-13(9-12-10-16-19(25-11-12)27-23(24)28-21(16)32)14-3-5-15(6-4-14)20(31)26-17(22(33)34)7-8-18(29)30/h3-6,12-13,17H,2,7-11H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50024475 (2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-quinazo...) Show SMILES Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 Show InChI InChI=1S/C21H25N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h2-5,11,16,23H,1,6-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
					More data for this Ligand-Target Pair