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BDBM50424253 CHEMBL2314161

SMILES: CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=LDQWXAQCCSMWHN-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50424253   
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))
BDBM50424253
PNG
(CHEMBL2314161)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H21N5O7S/c1-2-37-25(32)21-22(24(31)27-17-11-13-20(14-12-17)38(26,35)36)28-29(23(21)16-7-4-3-5-8-16)18-9-6-10-19(15-18)30(33)34/h3-15H,2H2,1H3,(H,27,31)(H2,26,35,36)
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
102n/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50424253
PNG
(CHEMBL2314161)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H21N5O7S/c1-2-37-25(32)21-22(24(31)27-17-11-13-20(14-12-17)38(26,35)36)28-29(23(21)16-7-4-3-5-8-16)18-9-6-10-19(15-18)30(33)34/h3-15H,2H2,1H3,(H,27,31)(H2,26,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
144n/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