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BDBM238309 3,4-Dimethylphenol (1)

SMILES: Cc1ccc(O)cc1C

InChI Key: InChIKey=YCOXTKKNXUZSKD-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 238309   
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))
BDBM238309
PNG
(3,4-Dimethylphenol (1))
Show SMILES Cc1ccc(O)cc1C
Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
PDB
MMDB

NCI pathway
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.03E+6n/an/an/an/a7.425



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238309
PNG
(3,4-Dimethylphenol (1))
Show SMILES Cc1ccc(O)cc1C
Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
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antibodypedia
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DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 4.13E+4n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238309
PNG
(3,4-Dimethylphenol (1))
Show SMILES Cc1ccc(O)cc1C
Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 4.91E+4n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238309
PNG
(3,4-Dimethylphenol (1))
Show SMILES Cc1ccc(O)cc1C
Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 9.30E+5n/an/an/an/a7.425



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair