Identical Ligands in BindingDB

Found 3 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   (162/162 = 100%)† (Bacillus anthracis)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC Show InChI InChI=1S/C17H20N4O2/c1-4-14-13(16(18)21-17(19)20-14)7-5-6-11-10-12(22-2)8-9-15(11)23-3/h8-10H,4,6H2,1-3H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR				J Med Chem 53: 7327-36 (2010) Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase   (162/162 = 100%)† (Bacillus anthracis)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC Show InChI InChI=1S/C17H20N4O2/c1-4-14-13(16(18)21-17(19)20-14)7-5-6-11-10-12(22-2)8-9-15(11)23-3/h8-10H,4,6H2,1-3H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR				J Med Chem 53: 7327-36 (2010) Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase   (162/162 = 100%)† (Bacillus anthracis)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC Show InChI InChI=1S/C17H20N4O2/c1-4-14-13(16(18)21-17(19)20-14)7-5-6-11-10-12(22-2)8-9-15(11)23-3/h8-10H,4,6H2,1-3H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	7.0	25
University of Connecticut					Assay Description Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH oxidation at an absorbance of 340 nm over several minutes. All...				J Med Chem 51: 7532-40 (2008) Article DOI: 10.1021/jm800776a BindingDB Entry DOI: 10.7270/Q2P8496H
					More data for this Ligand-Target Pair				3D Structure (crystal)

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