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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oplophorus-luciferin 2-monooxygenase catalytic subunit' and Ligand = 'BDBM223182'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Oplophorus-luciferin 2-monooxygenase catalytic subunit


(Oplophorus gracilirostris (Luminous shrimp))		BDBM223182
PNG
(1-(2-(Ethyl(3-ethylphenyl)amino)-2-oxoethyl)-N-(tr...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCO)c1cccc(CC)c1 |(54.27,-31.84,;54.27,-30.3,;52.94,-29.53,;52.94,-27.99,;51.6,-27.22,;54.27,-27.22,;54.27,-25.68,;55.52,-24.77,;55.04,-23.31,;53.5,-23.31,;52.25,-22.4,;51.01,-23.31,;51.48,-24.77,;53.02,-24.77,;56.98,-25.25,;57.3,-26.75,;58.13,-24.22,;59.59,-24.69,;59.91,-26.2,;61.37,-26.68,;62.52,-25.65,;62.2,-24.14,;60.73,-23.66,;63.98,-26.12,;65.13,-25.09,;64.3,-27.63,;65.77,-28.1,;66.09,-29.61,;67.55,-30.09,;67.87,-31.59,;69.34,-32.07,;69.66,-33.57,;71.12,-34.05,;51.6,-30.3,;50.27,-29.53,;48.94,-30.3,;48.94,-31.84,;50.27,-32.61,;50.27,-34.15,;51.6,-34.92,;51.6,-31.84,)|
Show InChI InChI=1S/C32H44N4O4S/c1-3-23-10-9-11-26(20-23)35(4-2)30(38)22-36-27-16-19-41-29(27)21-28(36)32(40)34-25-14-12-24(13-15-25)31(39)33-17-7-5-6-8-18-37/h9-11,16,19-21,24-25,37H,3-8,12-15,17-18,22H2,1-2H3,(H,33,39)(H,34,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/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