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SMILES: CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br

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 = 50233548   
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 1


(Homo sapiens (Human))
BDBM50233548
PNG
(CHEMBL4064334)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.810n/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))
BDBM50233548
PNG
(CHEMBL4064334)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
7.60n/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))
BDBM50233548
PNG
(CHEMBL4064334)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
7.80E+3n/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))
BDBM50233548
PNG
(CHEMBL4064334)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.09E+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