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SMILES: CCS(=O)(=O)Oc1ccc(cc1)-c1ccc2sccc2c1

InChI Key: InChIKey=HQLCABVWKIQFTP-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 2 hits for monomerid = 50524784   
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 12


(Homo sapiens (Human))
BDBM50524784
PNG
(CHEMBL4576825)
Show SMILES CCS(=O)(=O)Oc1ccc(cc1)-c1ccc2sccc2c1
Show InChI InChI=1S/C16H14O3S2/c1-2-21(17,18)19-15-6-3-12(4-7-15)13-5-8-16-14(11-13)9-10-20-16/h3-11H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 920n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-HA--tagged carbonic anhydrase 12 expressed in HEK293T cells using p-nitrophenyl acetate as substrate measured after...


Bioorg Med Chem 27: 3889-3901 (2019)


Article DOI: 10.1016/j.bmc.2019.07.026
BindingDB Entry DOI: 10.7270/Q2GX4G0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50524784
PNG
(CHEMBL4576825)
Show SMILES CCS(=O)(=O)Oc1ccc(cc1)-c1ccc2sccc2c1
Show InChI InChI=1S/C16H14O3S2/c1-2-21(17,18)19-15-6-3-12(4-7-15)13-5-8-16-14(11-13)9-10-20-16/h3-11H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-HA-tagged carbonic anhydrase 2 expressed in HEK293T cells using p-nitrophenyl acetate as substrate measured after 3...


Bioorg Med Chem 27: 3889-3901 (2019)


Article DOI: 10.1016/j.bmc.2019.07.026
BindingDB Entry DOI: 10.7270/Q2GX4G0K
More data for this
Ligand-Target Pair