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
Scytalone dehydratase   (163/163 = 100%)† (Magnaporthe grisea)	BDBM50078284 (CHEMBL38912 | N-[(R)-1-(4-Bromo-phenyl)-ethyl]-5-f...) Show SMILES C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1 Show InChI InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine-Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of scytalone dehydratase purified from Magnaporthe grisea				Bioorg Med Chem Lett 9: 1613-8 (1999) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Scytalone dehydratase   (163/163 = 100%)† (Magnaporthe grisea)	BDBM50078284 (CHEMBL38912 | N-[(R)-1-(4-Bromo-phenyl)-ethyl]-5-f...) Show SMILES C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1 Show InChI InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine-Haskell Research Center Curated by ChEMBL					Assay Description Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea				Bioorg Med Chem Lett 9: 1607-12 (1999) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Scytalone dehydratase   (163/163 = 100%)† (Magnaporthe grisea)	BDBM50078284 (CHEMBL38912 | N-[(R)-1-(4-Bromo-phenyl)-ethyl]-5-f...) Show SMILES C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1 Show InChI InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine-Haskell Research Center Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards SD (Scytalone dehydratase) against the rice pathogen Magnaporthe grisea				Bioorg Med Chem Lett 10: 23-6 (2000) BindingDB Entry DOI: 10.7270/Q247493V
					More data for this Ligand-Target Pair				3D Structure (crystal)

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