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BDBM50055218 1-(2-naphthlmethyl) isatin-5-carboxamide::1-Naphthalen-2-ylmethyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxylic acid amide::CHEMBL358279

SMILES: NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1

InChI Key: InChIKey=NTNYHMJYSGPGCQ-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50055218   
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
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055218
PNG
(1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50055218
PNG
(1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of papain


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
Beta-chymotrypsin


(Homo sapiens)
BDBM50055218
PNG
(1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
PDB
MMDB

Reactome pathway

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

Similars

Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin


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
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055218
PNG
(1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 14 3C 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
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50055218
PNG
(1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 370n/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
Trypsin


(Homo sapiens (human))
BDBM50055218
PNG
(1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.52E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of trypsin


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