Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50007499   

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 (Pneumocystis carinii)	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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	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				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	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	Article PubMed	n/a	n/a	3	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
Dihydrofolate reductase (Rattus norvegicus (rat))	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 Article PubMed	n/a	n/a	3	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				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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 (Pneumocystis carinii)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	35	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				3D Structure (crystal)
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	42	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))	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	430	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				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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 (Pneumocystis carinii)	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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 (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 (Rattus norvegicus (rat))	BDBM50041179 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 Show InChI InChI=1S/C19H20N6O6/c20-15-14-10(8-31-17(14)25-19(21)24-15)7-22-11-3-1-9(2-4-11)16(28)23-12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,23,28)(H,26,27)(H,29,30)(H4,20,21,24,25)	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
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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50064048 (7-Benzyl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]furo[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccccc4)Cc3oc2n1 Show InChI InChI=1S/C16H17N5O/c17-14-13-11-6-7-21(8-10-4-2-1-3-5-10)9-12(11)22-15(13)20-16(18)19-14/h1-5H,6-9H2,(H4,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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 (Pneumocystis carinii)	BDBM50064048 (7-Benzyl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]furo[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccccc4)Cc3oc2n1 Show InChI InChI=1S/C16H17N5O/c17-14-13-11-6-7-21(8-10-4-2-1-3-5-10)9-12(11)22-15(13)20-16(18)19-14/h1-5H,6-9H2,(H4,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>9.00E+3	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 (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 (Pneumocystis carinii)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+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				3D Structure (crystal)
Dihydrofolate reductase (Mycobacterium avium)	BDBM50064047 (7-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-pyr...) Show SMILES COc1cc(CN2CCc3c(C2)oc2nc(N)nc(N)c32)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O4/c1-25-12-6-10(7-13(26-2)16(12)27-3)8-24-5-4-11-14(9-24)28-18-15(11)17(20)22-19(21)23-18/h6-7H,4-5,8-9H2,1-3H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+4	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50064045 (7-(2,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(Cl)cc4Cl)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-9-2-1-8(11(18)5-9)6-23-4-3-10-12(7-23)24-15-13(10)14(19)21-16(20)22-15/h1-2,5H,3-4,6-7H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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 (Mycobacterium avium)	BDBM50064048 (7-Benzyl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]furo[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccccc4)Cc3oc2n1 Show InChI InChI=1S/C16H17N5O/c17-14-13-11-6-7-21(8-10-4-2-1-3-5-10)9-12(11)22-15(13)20-16(18)19-14/h1-5H,6-9H2,(H4,17,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	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 (Rattus norvegicus (rat))	BDBM50064048 (7-Benzyl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]furo[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccccc4)Cc3oc2n1 Show InChI InChI=1S/C16H17N5O/c17-14-13-11-6-7-21(8-10-4-2-1-3-5-10)9-12(11)22-15(13)20-16(18)19-14/h1-5H,6-9H2,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50041176 (2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl...) Show SMILES CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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 (Mycobacterium avium)	BDBM50064042 (7-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(Cl)c(Cl)c4)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-10-2-1-8(5-11(10)18)6-23-4-3-9-12(7-23)24-15-13(9)14(19)21-16(20)22-15/h1-2,5H,3-4,6-7H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	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 (Mycobacterium avium)	BDBM50064046 (7-(3,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-pyrido...) Show SMILES COc1cc(CN2CCc3c(C2)oc2nc(N)nc(N)c32)cc(OC)c1 Show InChI InChI=1S/C18H21N5O3/c1-24-11-5-10(6-12(7-11)25-2)8-23-4-3-13-14(9-23)26-17-15(13)16(19)21-18(20)22-17/h5-7H,3-4,8-9H2,1-2H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50064046 (7-(3,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-pyrido...) Show SMILES COc1cc(CN2CCc3c(C2)oc2nc(N)nc(N)c32)cc(OC)c1 Show InChI InChI=1S/C18H21N5O3/c1-24-11-5-10(6-12(7-11)25-2)8-23-4-3-13-14(9-23)26-17-15(13)16(19)21-18(20)22-17/h5-7H,3-4,8-9H2,1-2H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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))	BDBM50064042 (7-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(Cl)c(Cl)c4)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-10-2-1-8(5-11(10)18)6-23-4-3-9-12(7-23)24-15-13(9)14(19)21-16(20)22-15/h1-2,5H,3-4,6-7H2,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50064042 (7-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(Cl)c(Cl)c4)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-10-2-1-8(5-11(10)18)6-23-4-3-9-12(7-23)24-15-13(9)14(19)21-16(20)22-15/h1-2,5H,3-4,6-7H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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 (Pneumocystis carinii)	BDBM50064045 (7-(2,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(Cl)cc4Cl)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-9-2-1-8(11(18)5-9)6-23-4-3-10-12(7-23)24-15-13(10)14(19)21-16(20)22-15/h1-2,5H,3-4,6-7H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+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 (Pneumocystis carinii)	BDBM50064046 (7-(3,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-pyrido...) Show SMILES COc1cc(CN2CCc3c(C2)oc2nc(N)nc(N)c32)cc(OC)c1 Show InChI InChI=1S/C18H21N5O3/c1-24-11-5-10(6-12(7-11)25-2)8-23-4-3-13-14(9-23)26-17-15(13)16(19)21-18(20)22-17/h5-7H,3-4,8-9H2,1-2H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.28E+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))	BDBM50064046 (7-(3,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-pyrido...) Show SMILES COc1cc(CN2CCc3c(C2)oc2nc(N)nc(N)c32)cc(OC)c1 Show InChI InChI=1S/C18H21N5O3/c1-24-11-5-10(6-12(7-11)25-2)8-23-4-3-13-14(9-23)26-17-15(13)16(19)21-18(20)22-17/h5-7H,3-4,8-9H2,1-2H3,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+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
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50064042 (7-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(Cl)c(Cl)c4)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-10-2-1-8(5-11(10)18)6-23-4-3-9-12(7-23)24-15-13(9)14(19)21-16(20)22-15/h1-2,5H,3-4,6-7H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.41E+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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50064043 (7-(2,6-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4c(Cl)cccc4Cl)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-10-2-1-3-11(18)9(10)6-23-5-4-8-12(7-23)24-15-13(8)14(19)21-16(20)22-15/h1-3H,4-7H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50064047 (7-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-pyr...) Show SMILES COc1cc(CN2CCc3c(C2)oc2nc(N)nc(N)c32)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O4/c1-25-12-6-10(7-13(26-2)16(12)27-3)8-24-5-4-11-14(9-24)28-18-15(11)17(20)22-19(21)23-18/h6-7H,4-5,8-9H2,1-3H3,(H4,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii 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))	BDBM50064047 (7-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-pyr...) Show SMILES COc1cc(CN2CCc3c(C2)oc2nc(N)nc(N)c32)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O4/c1-25-12-6-10(7-13(26-2)16(12)27-3)8-24-5-4-11-14(9-24)28-18-15(11)17(20)22-19(21)23-18/h6-7H,4-5,8-9H2,1-3H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.50E+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
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50064047 (7-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-pyr...) Show SMILES COc1cc(CN2CCc3c(C2)oc2nc(N)nc(N)c32)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O4/c1-25-12-6-10(7-13(26-2)16(12)27-3)8-24-5-4-11-14(9-24)28-18-15(11)17(20)22-19(21)23-18/h6-7H,4-5,8-9H2,1-3H3,(H4,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.50E+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 (Pneumocystis carinii)	BDBM50064043 (7-(2,6-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4c(Cl)cccc4Cl)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-10-2-1-3-11(18)9(10)6-23-5-4-8-12(7-23)24-15-13(8)14(19)21-16(20)22-15/h1-3H,4-7H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.05E+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 (Mycobacterium avium)	BDBM50064045 (7-(2,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(Cl)cc4Cl)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-9-2-1-8(11(18)5-9)6-23-4-3-10-12(7-23)24-15-13(10)14(19)21-16(20)22-15/h1-2,5H,3-4,6-7H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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 (Rattus norvegicus (rat))	BDBM50064045 (7-(2,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4ccc(Cl)cc4Cl)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-9-2-1-8(11(18)5-9)6-23-4-3-10-12(7-23)24-15-13(10)14(19)21-16(20)22-15/h1-2,5H,3-4,6-7H2,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.09E+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
Dihydrofolate reductase (Mycobacterium avium)	BDBM50064043 (7-(2,6-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4c(Cl)cccc4Cl)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-10-2-1-3-11(18)9(10)6-23-5-4-8-12(7-23)24-15-13(8)14(19)21-16(20)22-15/h1-3H,4-7H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.12E+4	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 (Rattus norvegicus (rat))	BDBM50064043 (7-(2,6-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4c(Cl)cccc4Cl)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-10-2-1-3-11(18)9(10)6-23-5-4-8-12(7-23)24-15-13(8)14(19)21-16(20)22-15/h1-3H,4-7H2,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.12E+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
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
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	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	PDB Article PubMed	n/a	n/a	1.33E+5	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				3D Structure (crystal)