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BDBM50363534 CHEMBL608978

SMILES: C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1

InChI Key: InChIKey=YUOJWSJWXUSNJG-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 = 50363534   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363534
PNG
(CHEMBL608978)
Show SMILES C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1
Show InChI InChI=1S/C16H11NO2/c1-2-4-13-10(3-1)12-5-9-6-14-15(19-8-18-14)7-11(9)16(12)17-13/h1-4,6-7,17H,5,8H2
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Article
PubMed
2.44E+3n/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)


Article DOI: 10.1016/j.ejmech.2011.12.022
BindingDB Entry DOI: 10.7270/Q2N0170S
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50363534
PNG
(CHEMBL608978)
Show SMILES C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1
Show InChI InChI=1S/C16H11NO2/c1-2-4-13-10(3-1)12-5-9-6-14-15(19-8-18-14)7-11(9)16(12)17-13/h1-4,6-7,17H,5,8H2
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5.34E+3n/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)


Article DOI: 10.1016/j.ejmech.2011.12.022
BindingDB Entry DOI: 10.7270/Q2N0170S
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50363534
PNG
(CHEMBL608978)
Show SMILES C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1
Show InChI InChI=1S/C16H11NO2/c1-2-4-13-10(3-1)12-5-9-6-14-15(19-8-18-14)7-11(9)16(12)17-13/h1-4,6-7,17H,5,8H2
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PubMed
9.64E+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)


Article DOI: 10.1016/j.ejmech.2011.12.022
BindingDB Entry DOI: 10.7270/Q2N0170S
More data for this
Ligand-Target Pair
Carbonic anhydrase 3 (CA III)


(Bos taurus (Cattle))
BDBM50363534
PNG
(CHEMBL608978)
Show SMILES C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1
Show InChI InChI=1S/C16H11NO2/c1-2-4-13-10(3-1)12-5-9-6-14-15(19-8-18-14)7-11(9)16(12)17-13/h1-4,6-7,17H,5,8H2
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Article
PubMed
1.27E+4n/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)


Article DOI: 10.1016/j.ejmech.2011.12.022
BindingDB Entry DOI: 10.7270/Q2N0170S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50363534
PNG
(CHEMBL608978)
Show SMILES C1Oc2cc3Cc4c([nH]c5ccccc45)-c3cc2O1
Show InChI InChI=1S/C16H11NO2/c1-2-4-13-10(3-1)12-5-9-6-14-15(19-8-18-14)7-11(9)16(12)17-13/h1-4,6-7,17H,5,8H2
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UniChem

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Article
PubMed
1.63E+4n/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)


Article DOI: 10.1016/j.ejmech.2011.12.022
BindingDB Entry DOI: 10.7270/Q2N0170S
More data for this
Ligand-Target Pair