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BDBM50382709 CHEMBL2023171

SMILES: SC(=S)Nc1nccs1

InChI Key: InChIKey=FJJPHKKCHWFFCG-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50382709   
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
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50382709
PNG
(CHEMBL2023171)
Show SMILES SC(=S)Nc1nccs1
Show InChI InChI=1S/C4H4N2S3/c7-4(8)6-3-5-1-2-9-3/h1-2H,(H2,5,6,7,8)
PDB
MMDB

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PC sid
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Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50382709
PNG
(CHEMBL2023171)
Show SMILES SC(=S)Nc1nccs1
Show InChI InChI=1S/C4H4N2S3/c7-4(8)6-3-5-1-2-9-3/h1-2H,(H2,5,6,7,8)
PDB
MMDB

Reactome pathway
KEGG

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PC sid
UniChem
Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50382709
PNG
(CHEMBL2023171)
Show SMILES SC(=S)Nc1nccs1
Show InChI InChI=1S/C4H4N2S3/c7-4(8)6-3-5-1-2-9-3/h1-2H,(H2,5,6,7,8)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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CHEMBL
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PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50382709
PNG
(CHEMBL2023171)
Show SMILES SC(=S)Nc1nccs1
Show InChI InChI=1S/C4H4N2S3/c7-4(8)6-3-5-1-2-9-3/h1-2H,(H2,5,6,7,8)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair