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BDBM223157 Methyl trans-4-(4-(2-(ethyl(o-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (19)

SMILES: CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1ccccc1C

InChI Key: InChIKey=CGBOXKVBJHFBDJ-WGSAOQKQNA-N

Data: 1 IC50

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 1 hit for monomerid = 223157   
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))
BDBM223157
PNG
(Methyl trans-4-(4-(2-(ethyl(o-tolyl)amino)-2-oxoet...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1ccccc1C
Show InChI InChI=1/C26H31N3O4S/c1-4-28(20-8-6-5-7-17(20)2)24(30)16-29-21-13-14-34-23(21)15-22(29)25(31)27-19-11-9-18(10-12-19)26(32)33-3/h5-8,13-15,18-19H,4,9-12,16H2,1-3H3,(H,27,31)/t18-,19-
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 690n/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