Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50005291   

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 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 Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18224 (6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...) Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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 rat liver Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 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 rat liver Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					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	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 rat liver Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18224 (6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...) Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	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 Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
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	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 Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					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	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 Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18224 (6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...) Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035269 (2-{4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c[nH]c2n1 Show InChI InChI=1S/C19H21N7O5/c20-15-14-10(8-23-16(14)26-19(21)25-15)7-22-11-3-1-9(2-4-11)17(29)24-12(18(30)31)5-6-13(27)28/h1-4,8,12,22H,5-7H2,(H,24,29)(H,27,28)(H,30,31)(H5,20,21,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
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	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 Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035269 (2-{4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c[nH]c2n1 Show InChI InChI=1S/C19H21N7O5/c20-15-14-10(8-23-16(14)26-19(21)25-15)7-22-11-3-1-9(2-4-11)17(29)24-12(18(30)31)5-6-13(27)28/h1-4,8,12,22H,5-7H2,(H,24,29)(H,27,28)(H,30,31)(H5,20,21,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	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 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035269 (2-{4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl...) Show SMILES Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c[nH]c2n1 Show InChI InChI=1S/C19H21N7O5/c20-15-14-10(8-23-16(14)26-19(21)25-15)7-22-11-3-1-9(2-4-11)17(29)24-12(18(30)31)5-6-13(27)28/h1-4,8,12,22H,5-7H2,(H,24,29)(H,27,28)(H,30,31)(H5,20,21,23,25,26)	PDB UniProtKB/SwissProt 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 Inhibition of Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035274 (5-(Naphthalen-1-ylaminomethyl)-7H-pyrrolo[2,3-d]py...) Show SMILES Nc1nc(N)c2c(CNc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H16N6/c18-15-14-11(9-21-16(14)23-17(19)22-15)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H5,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035273 (5-((5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl)...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)c[nH]c2n1 Show InChI InChI=1S/C13H12Cl2N6/c14-8-2-1-7(3-9(8)15)18-4-6-5-19-12-10(6)11(16)20-13(17)21-12/h1-3,5,18H,4H2,(H5,16,17,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035271 (5-((2,5-dimethoxyphenylamino)methyl)-7H-pyrrolo[2,...) Show SMILES COc1ccc(OC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H18N6O2/c1-22-9-3-4-11(23-2)10(5-9)18-6-8-7-19-14-12(8)13(16)20-15(17)21-14/h3-5,7,18H,6H2,1-2H3,(H5,16,17,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					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	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 Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035268 (5-((phenylamino)methyl)-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES Nc1nc(N)c2c(CNc3ccccc3)c[nH]c2n1 Show InChI InChI=1S/C13H14N6/c14-11-10-8(6-16-9-4-2-1-3-5-9)7-17-12(10)19-13(15)18-11/h1-5,7,16H,6H2,(H5,14,15,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035272 (5-((3,4-dimethoxyphenylamino)methyl)-7H-pyrrolo[2,...) Show SMILES COc1ccc(NCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H18N6O2/c1-22-10-4-3-9(5-11(10)23-2)18-6-8-7-19-14-12(8)13(16)20-15(17)21-14/h3-5,7,18H,6H2,1-2H3,(H5,16,17,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035276 (5-((2,5-diethoxyphenylamino)methyl)-7H-pyrrolo[2,3...) Show SMILES CCOc1ccc(OCC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C17H22N6O2/c1-3-24-11-5-6-13(25-4-2)12(7-11)20-8-10-9-21-16-14(10)15(18)22-17(19)23-16/h5-7,9,20H,3-4,8H2,1-2H3,(H5,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035270 (5-((4-methoxyphenylamino)methyl)-7H-pyrrolo[2,3-d]...) Show SMILES COc1ccc(NCc2c[nH]c3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C14H16N6O/c1-21-10-4-2-9(3-5-10)17-6-8-7-18-13-11(8)12(15)19-14(16)20-13/h2-5,7,17H,6H2,1H3,(H5,15,16,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035275 (5-((3,4,5-trimethoxyphenylamino)methyl)-7H-pyrrolo...) Show SMILES COc1cc(NCc2c[nH]c3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H20N6O3/c1-23-10-4-9(5-11(24-2)13(10)25-3)19-6-8-7-20-15-12(8)14(17)21-16(18)22-15/h4-5,7,19H,6H2,1-3H3,(H5,17,18,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii (tc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					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 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 Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035273 (5-((5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl)...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)c[nH]c2n1 Show InChI InChI=1S/C13H12Cl2N6/c14-8-2-1-7(3-9(8)15)18-4-6-5-19-12-10(6)11(16)20-13(17)21-12/h1-3,5,18H,4H2,(H5,16,17,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.44E+4	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 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035276 (5-((2,5-diethoxyphenylamino)methyl)-7H-pyrrolo[2,3...) Show SMILES CCOc1ccc(OCC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C17H22N6O2/c1-3-24-11-5-6-13(25-4-2)12(7-11)20-8-10-9-21-16-14(10)15(18)22-17(19)23-16/h5-7,9,20H,3-4,8H2,1-2H3,(H5,18,19,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035275 (5-((3,4,5-trimethoxyphenylamino)methyl)-7H-pyrrolo...) Show SMILES COc1cc(NCc2c[nH]c3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H20N6O3/c1-23-10-4-9(5-11(24-2)13(10)25-3)19-6-8-7-20-15-12(8)14(17)21-16(18)22-15/h4-5,7,19H,6H2,1-3H3,(H5,17,18,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035273 (5-((5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl)...) Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)c[nH]c2n1 Show InChI InChI=1S/C13H12Cl2N6/c14-8-2-1-7(3-9(8)15)18-4-6-5-19-12-10(6)11(16)20-13(17)21-12/h1-3,5,18H,4H2,(H5,16,17,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035271 (5-((2,5-dimethoxyphenylamino)methyl)-7H-pyrrolo[2,...) Show SMILES COc1ccc(OC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H18N6O2/c1-22-9-3-4-11(23-2)10(5-9)18-6-8-7-19-14-12(8)13(16)20-15(17)21-14/h3-5,7,18H,6H2,1-2H3,(H5,16,17,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035275 (5-((3,4,5-trimethoxyphenylamino)methyl)-7H-pyrrolo...) Show SMILES COc1cc(NCc2c[nH]c3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H20N6O3/c1-23-10-4-9(5-11(24-2)13(10)25-3)19-6-8-7-20-15-12(8)14(17)21-16(18)22-15/h4-5,7,19H,6H2,1-3H3,(H5,17,18,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.63E+4	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 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035274 (5-(Naphthalen-1-ylaminomethyl)-7H-pyrrolo[2,3-d]py...) Show SMILES Nc1nc(N)c2c(CNc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H16N6/c18-15-14-11(9-21-16(14)23-17(19)22-15)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H5,18,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.93E+4	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 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035270 (5-((4-methoxyphenylamino)methyl)-7H-pyrrolo[2,3-d]...) Show SMILES COc1ccc(NCc2c[nH]c3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C14H16N6O/c1-21-10-4-2-9(3-5-10)17-6-8-7-18-13-11(8)12(15)19-14(16)20-13/h2-5,7,17H,6H2,1H3,(H5,15,16,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.30E+4	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 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035276 (5-((2,5-diethoxyphenylamino)methyl)-7H-pyrrolo[2,3...) Show SMILES CCOc1ccc(OCC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C17H22N6O2/c1-3-24-11-5-6-13(25-4-2)12(7-11)20-8-10-9-21-16-14(10)15(18)22-17(19)23-16/h5-7,9,20H,3-4,8H2,1-2H3,(H5,18,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+4	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 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035272 (5-((3,4-dimethoxyphenylamino)methyl)-7H-pyrrolo[2,...) Show SMILES COc1ccc(NCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H18N6O2/c1-22-10-4-3-9(5-11(10)23-2)18-6-8-7-19-14-12(8)13(16)20-15(17)21-14/h3-5,7,18H,6H2,1-2H3,(H5,16,17,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.16E+5	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 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035272 (5-((3,4-dimethoxyphenylamino)methyl)-7H-pyrrolo[2,...) Show SMILES COc1ccc(NCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H18N6O2/c1-22-10-4-3-9(5-11(10)23-2)18-6-8-7-19-14-12(8)13(16)20-15(17)21-14/h3-5,7,18H,6H2,1-2H3,(H5,16,17,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					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 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 rat liver Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035271 (5-((2,5-dimethoxyphenylamino)methyl)-7H-pyrrolo[2,...) Show SMILES COc1ccc(OC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 Show InChI InChI=1S/C15H18N6O2/c1-22-9-3-4-11(23-2)10(5-9)18-6-8-7-19-14-12(8)13(16)20-15(17)21-14/h3-5,7,18H,6H2,1-2H3,(H5,16,17,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.56E+5	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 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035268 (5-((phenylamino)methyl)-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES Nc1nc(N)c2c(CNc3ccccc3)c[nH]c2n1 Show InChI InChI=1S/C13H14N6/c14-11-10-8(6-16-9-4-2-1-3-5-9)7-17-12(10)19-13(15)18-11/h1-5,7,16H,6H2,(H5,14,15,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035268 (5-((phenylamino)methyl)-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES Nc1nc(N)c2c(CNc3ccccc3)c[nH]c2n1 Show InChI InChI=1S/C13H14N6/c14-11-10-8(6-16-9-4-2-1-3-5-9)7-17-12(10)19-13(15)18-11/h1-5,7,16H,6H2,(H5,14,15,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.52E+5	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 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035270 (5-((4-methoxyphenylamino)methyl)-7H-pyrrolo[2,3-d]...) Show SMILES COc1ccc(NCc2c[nH]c3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C14H16N6O/c1-21-10-4-2-9(3-5-10)17-6-8-7-18-13-11(8)12(15)19-14(16)20-13/h2-5,7,17H,6H2,1H3,(H5,15,16,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035274 (5-(Naphthalen-1-ylaminomethyl)-7H-pyrrolo[2,3-d]py...) Show SMILES Nc1nc(N)c2c(CNc3cccc4ccccc34)c[nH]c2n1 Show InChI InChI=1S/C17H16N6/c18-15-14-11(9-21-16(14)23-17(19)22-15)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H5,18,19,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase				J Med Chem 38: 2158-65 (1995) BindingDB Entry DOI: 10.7270/Q2DB80V1
					More data for this Ligand-Target Pair