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SMILES: CCc1ccc(NCC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50572410   
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))
BDBM50572410
PNG
(CHEMBL4869520)
Show SMILES CCc1ccc(NCC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
0.440n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01889
BindingDB Entry DOI: 10.7270/Q2ZW1QQR
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50572410
PNG
(CHEMBL4869520)
Show SMILES CCc1ccc(NCC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
73n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01889
BindingDB Entry DOI: 10.7270/Q2ZW1QQR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50572410
PNG
(CHEMBL4869520)
Show SMILES CCc1ccc(NCC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
95n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01889
BindingDB Entry DOI: 10.7270/Q2ZW1QQR
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50572410
PNG
(CHEMBL4869520)
Show SMILES CCc1ccc(NCC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
218n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA7 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01889
BindingDB Entry DOI: 10.7270/Q2ZW1QQR
More data for this
Ligand-Target Pair