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SMILES: COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC

InChI Key:

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 = 50233597   
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))
BDBM50233597
PNG
(CHEMBL4091363)
Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.540n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233597
PNG
(CHEMBL4091363)
Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
8.90n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233597
PNG
(CHEMBL4091363)
Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>5.00E+4n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233597
PNG
(CHEMBL4091363)
Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>5.00E+4n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)

More data for this
Ligand-Target Pair