BindingDB logo
myBDB logout

BDBM50209225 CHEMBL3883807

SMILES: COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1

InChI Key:

Data: 4 KI

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 = 50209225   
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 4


(Homo sapiens (Human))
BDBM50209225
PNG
(CHEMBL3883807)
Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.650n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)


Article DOI: 10.1016/j.bmc.2016.11.027
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209225
PNG
(CHEMBL3883807)
Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.40n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)


Article DOI: 10.1016/j.bmc.2016.11.027
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50209225
PNG
(CHEMBL3883807)
Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
4n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)


Article DOI: 10.1016/j.bmc.2016.11.027
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209225
PNG
(CHEMBL3883807)
Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
50n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)


Article DOI: 10.1016/j.bmc.2016.11.027
More data for this
Ligand-Target Pair