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PubMed code 21851212

Compile data set for download or QSAR
Found 7 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))
BDBM50049707
PNG
((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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Article
PubMed
1.58E+4 -27.4 2.10E+4n/an/an/an/a7.425



Erzincan University



Assay Description
CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti e...


J Enzyme Inhib Med Chem 27: 641-5 (2012)


Article DOI: 10.3109/14756366.2011.604852
BindingDB Entry DOI: 10.7270/Q2WH2NXK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50049707
PNG
((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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Article
PubMed
2.85E+4 -25.9 2.71E+4n/an/an/an/a7.425



Erzincan University



Assay Description
CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti e...


J Enzyme Inhib Med Chem 27: 641-5 (2012)


Article DOI: 10.3109/14756366.2011.604852
BindingDB Entry DOI: 10.7270/Q2WH2NXK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM237183
PNG
(Ranitidine)
Show SMILES CN\C(NCCSCc1ccc(CN(C)C)o1)=C/[N+]([O-])=O
Show InChI InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
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PubMed
2.97E+4 -25.8 6.61E+4n/an/an/an/a7.425



Erzincan University



Assay Description
CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti e...


J Enzyme Inhib Med Chem 27: 641-5 (2012)


Article DOI: 10.3109/14756366.2011.604852
BindingDB Entry DOI: 10.7270/Q2WH2NXK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM237182
PNG
(Ceftizoxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1
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PubMed
5.18E+4 -24.5 7.91E+4n/an/an/an/a7.425



Erzincan University



Assay Description
CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti e...


J Enzyme Inhib Med Chem 27: 641-5 (2012)


Article DOI: 10.3109/14756366.2011.604852
BindingDB Entry DOI: 10.7270/Q2WH2NXK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM237183
PNG
(Ranitidine)
Show SMILES CN\C(NCCSCc1ccc(CN(C)C)o1)=C/[N+]([O-])=O
Show InChI InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
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5.47E+4 -24.3 5.55E+4n/an/an/an/a7.425



Erzincan University



Assay Description
CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti e...


J Enzyme Inhib Med Chem 27: 641-5 (2012)


Article DOI: 10.3109/14756366.2011.604852
BindingDB Entry DOI: 10.7270/Q2WH2NXK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50350465
PNG
(AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
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Article
PubMed
8.30E+4 -23.3 5.68E+4n/an/an/an/a7.425



Erzincan University



Assay Description
CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti e...


J Enzyme Inhib Med Chem 27: 641-5 (2012)


Article DOI: 10.3109/14756366.2011.604852
BindingDB Entry DOI: 10.7270/Q2WH2NXK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM237182
PNG
(Ceftizoxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1
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PubMed
8.61E+4 -23.2 7.94E+4n/an/an/an/a7.425



Erzincan University



Assay Description
CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti e...


J Enzyme Inhib Med Chem 27: 641-5 (2012)


Article DOI: 10.3109/14756366.2011.604852
BindingDB Entry DOI: 10.7270/Q2WH2NXK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%