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BDBM50188383 1-butyl-2,3-dioxoindoline-5-carboxamide::CHEMBL379727

SMILES: CCCCN1C(=O)C(=O)c2cc(ccc12)C(N)=O

InChI Key: InChIKey=HRVIHQDVDQVYBE-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50188383   
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
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50188383
PNG
(1-butyl-2,3-dioxoindoline-5-carboxamide | CHEMBL37...)
Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)C(N)=O
Show InChI InChI=1S/C13H14N2O3/c1-2-3-6-15-10-5-4-8(12(14)17)7-9(10)11(16)13(15)18/h4-5,7H,2-3,6H2,1H3,(H2,14,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.91E+4n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of SARS CoV 3C-like protease


J Med Chem 49: 3440-3 (2006)


Article DOI: 10.1021/jm0602357
BindingDB Entry DOI: 10.7270/Q2TD9WZX
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50188383
PNG
(1-butyl-2,3-dioxoindoline-5-carboxamide | CHEMBL37...)
Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)C(N)=O
Show InChI InChI=1S/C13H14N2O3/c1-2-3-6-15-10-5-4-8(12(14)17)7-9(10)11(16)13(15)18/h4-5,7H,2-3,6H2,1H3,(H2,14,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 1.90E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50188383
PNG
(1-butyl-2,3-dioxoindoline-5-carboxamide | CHEMBL37...)
Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)C(N)=O
Show InChI InChI=1S/C13H14N2O3/c1-2-3-6-15-10-5-4-8(12(14)17)7-9(10)11(16)13(15)18/h4-5,7H,2-3,6H2,1H3,(H2,14,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 1.78E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair