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BDBM50363543 CHEMBL593507

SMILES: Oc1ccc(O)c-2c1Cc1c-2[nH]c2ccccc12

InChI Key: InChIKey=ZYYKPVBVJWQNLK-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50363543   
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))
BDBM50363543
PNG
(CHEMBL593507)
Show SMILES Oc1ccc(O)c-2c1Cc1c-2[nH]c2ccccc12
Show InChI InChI=1S/C15H11NO2/c17-12-5-6-13(18)14-10(12)7-9-8-3-1-2-4-11(8)16-15(9)14/h1-6,16-18H,7H2
PDB
MMDB

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Article
PubMed
435n/an/an/an/an/an/an/an/a



Ondokuz Mayis University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...


Eur J Med Chem 49: 68-73 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50363543
PNG
(CHEMBL593507)
Show SMILES Oc1ccc(O)c-2c1Cc1c-2[nH]c2ccccc12
Show InChI InChI=1S/C15H11NO2/c17-12-5-6-13(18)14-10(12)7-9-8-3-1-2-4-11(8)16-15(9)14/h1-6,16-18H,7H2
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Article
PubMed
561n/an/an/an/an/an/an/an/a



Ondokuz Mayis University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...


Eur J Med Chem 49: 68-73 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50363543
PNG
(CHEMBL593507)
Show SMILES Oc1ccc(O)c-2c1Cc1c-2[nH]c2ccccc12
Show InChI InChI=1S/C15H11NO2/c17-12-5-6-13(18)14-10(12)7-9-8-3-1-2-4-11(8)16-15(9)14/h1-6,16-18H,7H2
PDB
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Article
PubMed
2.51E+3n/an/an/an/an/an/an/an/a



Ondokuz Mayis University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...


Eur J Med Chem 49: 68-73 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50363543
PNG
(CHEMBL593507)
Show SMILES Oc1ccc(O)c-2c1Cc1c-2[nH]c2ccccc12
Show InChI InChI=1S/C15H11NO2/c17-12-5-6-13(18)14-10(12)7-9-8-3-1-2-4-11(8)16-15(9)14/h1-6,16-18H,7H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.17E+3n/an/an/an/an/an/an/an/a



Ondokuz Mayis University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...


Eur J Med Chem 49: 68-73 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 3 (CA III)


(Bos taurus (Cattle))
BDBM50363543
PNG
(CHEMBL593507)
Show SMILES Oc1ccc(O)c-2c1Cc1c-2[nH]c2ccccc12
Show InChI InChI=1S/C15H11NO2/c17-12-5-6-13(18)14-10(12)7-9-8-3-1-2-4-11(8)16-15(9)14/h1-6,16-18H,7H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.34E+3n/an/an/an/an/an/an/an/a



Ondokuz Mayis University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analys...


Eur J Med Chem 49: 68-73 (2012)

More data for this
Ligand-Target Pair