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PubMed code 25553540

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50070606
PNG
(CHEMBL3408993)
Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1
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Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus-Bos taurus (Cattle)-Bos taurus (bovine))
BDBM50070606
PNG
(CHEMBL3408993)
Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1
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2n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 5


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50070606
PNG
(CHEMBL3408993)
Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1
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3n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50070606
PNG
(CHEMBL3408993)
Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1
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6n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50003127
PNG
(CHEMBL122193 | CHEMBL1626562 | CHEMBL16659 | choli...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(S)s1
Show InChI InChI=1S/C16H22N2OS2/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,18,20)
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of 5-LO (unknown origin)


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076347
PNG
(1-(4-Fluoro-phenyl)-3-(5-thioxo-4,5-dihydro-[1,3,4...)
Show SMILES Fc1ccc(NC(=O)Nc2nnc(S)s2)cc1
Show InChI InChI=1S/C9H7FN4OS2/c10-5-1-3-6(4-2-5)11-7(15)12-8-13-14-9(16)17-8/h1-4H,(H,14,16)(H2,11,12,13,15)
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PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of stromelysin-1 (unknown origin)


Eur J Med Chem 92: 156-77 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.035
BindingDB Entry DOI: 10.7270/Q23B61TF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%