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SMILES: Oc1ccc(cc1)-c1cc2cc(O)cc(O)c2[se]1

InChI Key: InChIKey=NXNJSGIETCZVFQ-UHFFFAOYSA-N

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 5 hits for monomerid = 50248423   
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 7


(Homo sapiens (Human))
BDBM50248423
PNG
(CHEMBL4104399)
Show SMILES Oc1ccc(cc1)-c1cc2cc(O)cc(O)c2[se]1
Show InChI InChI=1S/C14H10O3Se/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13/h1-7,15-17H
PDB
MMDB

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Article
PubMed
6.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 7 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...


Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
BindingDB Entry DOI: 10.7270/Q25B04XC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50248423
PNG
(CHEMBL4104399)
Show SMILES Oc1ccc(cc1)-c1cc2cc(O)cc(O)c2[se]1
Show InChI InChI=1S/C14H10O3Se/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13/h1-7,15-17H
PDB
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Article
PubMed
1.91E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...


Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
BindingDB Entry DOI: 10.7270/Q25B04XC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50248423
PNG
(CHEMBL4104399)
Show SMILES Oc1ccc(cc1)-c1cc2cc(O)cc(O)c2[se]1
Show InChI InChI=1S/C14H10O3Se/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13/h1-7,15-17H
PDB
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Article
PubMed
3.70E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane carbonic anhydrase 9 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red ...


Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
BindingDB Entry DOI: 10.7270/Q25B04XC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50248423
PNG
(CHEMBL4104399)
Show SMILES Oc1ccc(cc1)-c1cc2cc(O)cc(O)c2[se]1
Show InChI InChI=1S/C14H10O3Se/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13/h1-7,15-17H
PDB
MMDB

NCI pathway
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Article
PubMed
4.95E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...


Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
BindingDB Entry DOI: 10.7270/Q25B04XC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50248423
PNG
(CHEMBL4104399)
Show SMILES Oc1ccc(cc1)-c1cc2cc(O)cc(O)c2[se]1
Show InChI InChI=1S/C14H10O3Se/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13/h1-7,15-17H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
5.68E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 4 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red...


Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
BindingDB Entry DOI: 10.7270/Q25B04XC
More data for this
Ligand-Target Pair