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BDBM50511588 CHEMBL4453207

SMILES: [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1

InChI Key: InChIKey=CEIMVJWUNWLWTP-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50511588   
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


(Homo sapiens (Human))
BDBM50511588
PNG
(CHEMBL4453207)
Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1
Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...


J Med Chem 63: 4306-4314 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00211
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50511588
PNG
(CHEMBL4453207)
Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1
Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...


J Med Chem 63: 4306-4314 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00211
More data for this
Ligand-Target Pair