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PDB code 5FDC

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by fluorimetric assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


J Med Chem 52: 3431-40 (2009)


Article DOI: 10.1021/jm900141j
BindingDB Entry DOI: 10.7270/Q24F1QMG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output