BDBM50078284 CHEMBL38912::N-[(R)-1-(4-Bromo-phenyl)-ethyl]-5-fluoro-2-hydroxy-benzamide::N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE

SMILES: C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1

InChI Key: InChIKey=KFTNEILVDDUXGR-SECBINFHSA-N

Data: 3 KI

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50078284   

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
Scytalone dehydratase (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)
Scytalone dehydratase (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	47	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 (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	47	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)