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BDBM178053 4-[2-(3,4-Dimethoxybenzyl)cyclopentyl]-1,2-dimethoxybenzene (17)

SMILES: COc1ccc(CC2CCCC2c2ccc(OC)c(OC)c2)cc1OC

InChI Key: InChIKey=HMMGLTXEEXXCKT-UHFFFAOYNA-N

Data: 2 KI  2 IC50

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 = 178053   
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))
BDBM178053
PNG
(4-[2-(3,4-Dimethoxybenzyl)cyclopentyl]-1,2-dimetho...)
Show SMILES COc1ccc(CC2CCCC2c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1/C22H28O4/c1-23-19-10-8-15(13-21(19)25-3)12-16-6-5-7-18(16)17-9-11-20(24-2)22(14-17)26-4/h8-11,13-14,16,18H,5-7,12H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
421n/a 560n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178053
PNG
(4-[2-(3,4-Dimethoxybenzyl)cyclopentyl]-1,2-dimetho...)
Show SMILES COc1ccc(CC2CCCC2c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1/C22H28O4/c1-23-19-10-8-15(13-21(19)25-3)12-16-6-5-7-18(16)17-9-11-20(24-2)22(14-17)26-4/h8-11,13-14,16,18H,5-7,12H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.03E+3n/a 504n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair