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BDBM50007794 CHEMBL3233822

SMILES: COc1cc(CNC(=O)C2CCN(CC2)[C@H](C)c2cccc3ccccc23)ccn1

InChI Key: InChIKey=MMIABLSMKGWQKD-GOSISDBHSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50007794   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007794
PNG
(CHEMBL3233822)
Show SMILES COc1cc(CNC(=O)C2CCN(CC2)[C@H](C)c2cccc3ccccc23)ccn1
Show InChI InChI=1S/C25H29N3O2/c1-18(22-9-5-7-20-6-3-4-8-23(20)22)28-14-11-21(12-15-28)25(29)27-17-19-10-13-26-24(16-19)30-2/h3-10,13,16,18,21H,11-12,14-15,17H2,1-2H3,(H,27,29)/t18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair