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BDBM50428617 CHEMBL2331757

SMILES: CC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12

InChI Key: InChIKey=FMKCGWOUHFVPIR-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 = 50428617   
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))
BDBM50428617
PNG
(CHEMBL2331757)
Show SMILES CC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C19H20N4O3S/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)21-19(24)22-15-9-11-16(12-10-15)23-27(20,25)26/h2-13,23H,1H3,(H2,20,25,26)(H2,21,22,24)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
0.774n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428617
PNG
(CHEMBL2331757)
Show SMILES CC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C19H20N4O3S/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)21-19(24)22-15-9-11-16(12-10-15)23-27(20,25)26/h2-13,23H,1H3,(H2,20,25,26)(H2,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428617
PNG
(CHEMBL2331757)
Show SMILES CC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C19H20N4O3S/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)21-19(24)22-15-9-11-16(12-10-15)23-27(20,25)26/h2-13,23H,1H3,(H2,20,25,26)(H2,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428617
PNG
(CHEMBL2331757)
Show SMILES CC(NC(=O)Nc1ccc(NS(N)(=O)=O)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C19H20N4O3S/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)21-19(24)22-15-9-11-16(12-10-15)23-27(20,25)26/h2-13,23H,1H3,(H2,20,25,26)(H2,21,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
More data for this
Ligand-Target Pair