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SMILES: COc1ccc(-c2nnc(o2)-c2ccc(OC)c(c2)S(N)(=O)=O)c(OC)c1

InChI Key:

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 = 50557498   
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))
BDBM50557498
PNG
(CHEMBL4795183)
Show SMILES COc1ccc(-c2nnc(o2)-c2ccc(OC)c(c2)S(N)(=O)=O)c(OC)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127856
BindingDB Entry DOI: 10.7270/Q2X63RMC
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50557498
PNG
(CHEMBL4795183)
Show SMILES COc1ccc(-c2nnc(o2)-c2ccc(OC)c(c2)S(N)(=O)=O)c(OC)c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 13 by stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127856
BindingDB Entry DOI: 10.7270/Q2X63RMC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50557498
PNG
(CHEMBL4795183)
Show SMILES COc1ccc(-c2nnc(o2)-c2ccc(OC)c(c2)S(N)(=O)=O)c(OC)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127856
BindingDB Entry DOI: 10.7270/Q2X63RMC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50557498
PNG
(CHEMBL4795183)
Show SMILES COc1ccc(-c2nnc(o2)-c2ccc(OC)c(c2)S(N)(=O)=O)c(OC)c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127856
BindingDB Entry DOI: 10.7270/Q2X63RMC
More data for this
Ligand-Target Pair