Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data   

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   (187/187 = 100%)† (Homo sapiens (Human))	BDBM50034929 (6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...) Show SMILES CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)				J Med Chem 45: 41-53 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VXR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase   (168/187 = 90%)† (Rattus norvegicus (rat))	BDBM50034929 (6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...) Show SMILES CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	17.4	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 rat liver				J Med Chem 38: 1778-85 (1995) BindingDB Entry DOI: 10.7270/Q2FB520T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase   (168/187 = 90%)† (Rattus norvegicus (rat))	BDBM50034929 (6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...) Show SMILES CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17.4	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				3D Structure (crystal)
Dihydrofolate reductase   (168/187 = 90%)† (Rattus norvegicus (rat))	BDBM50034929 (6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...) Show SMILES CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against rat liver dihydrofolate reductase				J Med Chem 39: 1271-80 (1996) Article DOI: 10.1021/jm950760y BindingDB Entry DOI: 10.7270/Q2154G39
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase   (187/187 = 100%)† (Homo sapiens (Human))	BDBM50034929 (6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...) Show SMILES CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Antimycobacterial activity against human dihydrofolate reductase (hDHFR)				J Med Chem 45: 41-53 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VXR
					More data for this Ligand-Target Pair				3D Structure (crystal)

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