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BDBM223150 Ethyl 2-(4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)phenyl)acetate (12)

SMILES: CCOC(=O)Cc1ccc(NC(=O)c2cc3sccc3n2CC(=O)N(CC)c2cccc(C)c2)cc1

InChI Key: InChIKey=CNYLVCBBXDGCCB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 223150   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223150
PNG
(Ethyl 2-(4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)...)
Show SMILES CCOC(=O)Cc1ccc(NC(=O)c2cc3sccc3n2CC(=O)N(CC)c2cccc(C)c2)cc1
Show InChI InChI=1S/C28H29N3O4S/c1-4-30(22-8-6-7-19(3)15-22)26(32)18-31-23-13-14-36-25(23)17-24(31)28(34)29-21-11-9-20(10-12-21)16-27(33)35-5-2/h6-15,17H,4-5,16,18H2,1-3H3,(H,29,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/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