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BDBM50035692 CHEMBL2377791

SMILES: CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=ARZLYRMAMRPNLV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50035692   
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 9


(Homo sapiens (human))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
PDB
MMDB

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Article
PubMed
2.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
PDB
MMDB

Reactome pathway
KEGG

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antibodypedia
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PC sid
UniChem

Patents


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Article
PubMed
2.70n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
PDB
MMDB

Reactome pathway
KEGG

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antibodypedia
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UniChem

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Article
PubMed
5.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)

More data for this
Ligand-Target Pair