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BDBM50424244 CHEMBL2314159

SMILES: NS(=O)(=O)c1ccc(NC(=O)c2nn(c(c2C(O)=O)-c2ccccc2)-c2cccc(c2)N=Nc2ccc(O)cc2)cc1

InChI Key: InChIKey=DLBMSMDCIGBABK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50424244   
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 2


(Homo sapiens (Human))
BDBM50424244
PNG
(CHEMBL2314159)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2nn(c(c2C(O)=O)-c2ccccc2)-c2cccc(c2)N=Nc2ccc(O)cc2)cc1 |w:31.33|
Show InChI InChI=1S/C29H22N6O6S/c30-42(40,41)24-15-11-19(12-16-24)31-28(37)26-25(29(38)39)27(18-5-2-1-3-6-18)35(34-26)22-8-4-7-21(17-22)33-32-20-9-13-23(36)14-10-20/h1-17,36H,(H,31,37)(H,38,39)(H2,30,40,41)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
349n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 21-7 (2012)


Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50424244
PNG
(CHEMBL2314159)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2nn(c(c2C(O)=O)-c2ccccc2)-c2cccc(c2)N=Nc2ccc(O)cc2)cc1 |w:31.33|
Show InChI InChI=1S/C29H22N6O6S/c30-42(40,41)24-15-11-19(12-16-24)31-28(37)26-25(29(38)39)27(18-5-2-1-3-6-18)35(34-26)22-8-4-7-21(17-22)33-32-20-9-13-23(36)14-10-20/h1-17,36H,(H,31,37)(H,38,39)(H2,30,40,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 21-7 (2012)


Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR
More data for this
Ligand-Target Pair