Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Luciferin 4-monooxygenase' and Ligand = 'BDBM50293127'   

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
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50293127 (2-(2-Chloro-4-fluorophenyl)-6-methoxybenzo[d]thiaz...) Show SMILES COc1ccc2nc(sc2c1)-c1ccc(F)cc1Cl Show InChI InChI=1S/C14H9ClFNOS/c1-18-9-3-5-12-13(7-9)19-14(17-12)10-4-2-8(16)6-11(10)15/h2-7H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50293127 (2-(2-Chloro-4-fluorophenyl)-6-methoxybenzo[d]thiaz...) Show SMILES COc1ccc2nc(sc2c1)-c1ccc(F)cc1Cl Show InChI InChI=1S/C14H9ClFNOS/c1-18-9-3-5-12-13(7-9)19-14(17-12)10-4-2-8(16)6-11(10)15/h2-7H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair				3D Structure (docked)
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50293127 (2-(2-Chloro-4-fluorophenyl)-6-methoxybenzo[d]thiaz...) Show SMILES COc1ccc2nc(sc2c1)-c1ccc(F)cc1Cl Show InChI InChI=1S/C14H9ClFNOS/c1-18-9-3-5-12-13(7-9)19-14(17-12)10-4-2-8(16)6-11(10)15/h2-7H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair