Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 356.3 BDBM50051919

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 13 hits in this display   

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 (Lactobacillus casei)	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against recombinant sf dihydrofolate reductase(in 50 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996) Article DOI: 10.1021/jm950786p BindingDB Entry DOI: 10.7270/Q2PK0F8N
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase (in 90 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996) Article DOI: 10.1021/jm950786p BindingDB Entry DOI: 10.7270/Q2PK0F8N
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii 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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against recombinant ec dihydrofolate reductase(in 50 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996) Article DOI: 10.1021/jm950786p BindingDB Entry DOI: 10.7270/Q2PK0F8N
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Inhibitory activity of the compound against Toxoplasma gondii dihydrofolate reductase (in 50 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996) Article DOI: 10.1021/jm950786p BindingDB Entry DOI: 10.7270/Q2PK0F8N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+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 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against rat liver dihydrofolate reductase (in 90 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996) Article DOI: 10.1021/jm950786p BindingDB Entry DOI: 10.7270/Q2PK0F8N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii dihydrofolate reductase (in 90 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996) Article DOI: 10.1021/jm950786p BindingDB Entry DOI: 10.7270/Q2PK0F8N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+4	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 (Lactobacillus casei)	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 activity of the compound against recombinant lc dihydrofolate reductase(in 50 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996) Article DOI: 10.1021/jm950786p BindingDB Entry DOI: 10.7270/Q2PK0F8N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from recombinant human (hDHFR)				J Med Chem 41: 3426-34 (1998) Article DOI: 10.1021/jm980081y BindingDB Entry DOI: 10.7270/Q27H1HQZ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50051919 (CHEMBL33208 | N*6*-(3,4,5-Trimethoxy-benzyl)-pyrid...) Show SMILES COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human dihydrofolate reductase(in 50 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996) Article DOI: 10.1021/jm950786p BindingDB Entry DOI: 10.7270/Q2PK0F8N
					More data for this Ligand-Target Pair