null

SMILES: COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC

InChI Key: InChIKey=GMMNRNFBCUQMFF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50057311   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay				Bioorg Med Chem 18: 1684-701 (2010) Article DOI: 10.1016/j.bmc.2009.12.066 BindingDB Entry DOI: 10.7270/Q2668D9K
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	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
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+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 (Rattus norvegicus (rat))	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver DHFR by spectrophotometric assay				Bioorg Med Chem 18: 1684-701 (2010) Article DOI: 10.1016/j.bmc.2009.12.066 BindingDB Entry DOI: 10.7270/Q2668D9K
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057311 (5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3...) Show SMILES COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+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 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair