Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oplophorus-luciferin 2-monooxygenase catalytic subunit' and Ligand = 'BDBM223160'   

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
Oplophorus-luciferin 2-monooxygenase catalytic subunit (Oplophorus gracilirostris (Luminous shrimp))	BDBM223160 (Methyl trans-4-(4-(2-(ethyl(3-ethylphenyl)amino)-2...) Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(CC)c1 |r,wU:17.18,wD:20.25,(16.5,-21.06,;16.5,-19.52,;15.17,-18.75,;15.17,-17.21,;13.84,-16.44,;16.5,-16.44,;16.5,-14.9,;17.75,-14,;17.27,-12.53,;15.73,-12.53,;14.49,-11.63,;13.24,-12.53,;13.72,-14,;15.26,-14,;19.21,-14.48,;19.53,-15.98,;20.36,-13.45,;21.82,-13.92,;22.97,-12.89,;24.43,-13.37,;24.75,-14.87,;23.61,-15.9,;22.14,-15.43,;26.22,-15.35,;27.36,-14.32,;26.54,-16.86,;28,-17.33,;13.84,-19.52,;13.84,-21.06,;12.5,-21.83,;11.17,-21.06,;11.17,-19.52,;9.83,-18.75,;8.5,-19.52,;12.5,-18.75,)| Show InChI InChI=1S/C27H33N3O4S/c1-4-18-7-6-8-21(15-18)29(5-2)25(31)17-30-22-13-14-35-24(22)16-23(30)26(32)28-20-11-9-19(10-12-20)27(33)34-3/h6-8,13-16,19-20H,4-5,9-12,17H2,1-3H3,(H,28,32)/t19-,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Promega Biosciences LLC					Assay Description NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3× dilution series of each inhibitor was ...				ACS Chem Biol 12: 1028-1037 (2017) Article DOI: 10.1021/acschembio.6b01129 BindingDB Entry DOI: 10.7270/Q2SF2V1S
					More data for this Ligand-Target Pair