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BDBM50309833 (S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide::CHEMBL597477

SMILES: NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21

InChI Key: InChIKey=FUZYTVDVLBBXDL-IMWMWJONNA-N

Data: 2 IC50

PDB links: 6 PDB IDs match this monomer.

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 2 hits for monomerid = 50309833   
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
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50309833
PNG
((S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-car...)
Show SMILES NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/s2
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CHEMBL
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PC cid
PC sid
PDB
UniChem

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Similars

PDB
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50309833
PNG
((S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-car...)
Show SMILES NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair