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7 similar compounds to monomer 50131682

Compile data set for download or QSAR
Wt: 710.3
BDBM50131684
Wt: 670.3
BDBM50131685
Wt: 1090.3
BDBM50104804
Wt: 327.4
BDBM50131671
Wt: 284.3
BDBM50131680
Wt: 420.4
BDBM50131681
Wt: 314.3
BDBM50131678

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50131684,50131685,50104804,50131671,50131680,50131681,50131678   
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 XIV


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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310n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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470n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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520n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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540n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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560n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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640n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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710n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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720n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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740n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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750n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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760n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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790n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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820n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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820n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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840n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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910n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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990n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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3.66E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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5.23E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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8.05E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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1.05E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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1.16E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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1.25E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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2.41E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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2.92E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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4.05E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104804
PNG
(CHEMBL3597505)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](C\C=C/C[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C50H91N17O10/c1-10-28(6)38-47(77)65-35(24-27(4)5)45(75)63-31(16-11-12-17-32(43(73)67-38)61-40(70)29(51)15-13-21-58-48(54)55)41(71)62-33(18-14-22-59-49(56)57)42(72)66-36(25-50(7,8)9)46(76)64-34(23-26(2)3)44(74)60-30(39(53)69)19-20-37(52)68/h11-12,26-36,38H,10,13-25,51H2,1-9H3,(H2,52,68)(H2,53,69)(H,60,74)(H,61,70)(H,62,71)(H,63,75)(H,64,76)(H,65,77)(H,66,72)(H,67,73)(H4,54,55,58)(H4,56,57,59)/b12-11-/t28-,29-,30-,31-,32+,33-,34-,35-,36?,38-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50131685
PNG
(CHEMBL3633136)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)C(C)O)C(C)C)ccc1OC
Show InChI InChI=1S/C34H59N5O6.ClH/c1-22(2)26(15-25-11-12-31(44-9)32(16-25)45-14-10-13-43-8)17-28(35)30(41)18-27(23(3)4)33(42)36-20-34(6,7)21-39-19-29(24(5)40)37-38-39;/h11-12,16,19,22-24,26-28,30,40-41H,10,13-15,17-18,20-21,35H2,1-9H3,(H,36,42);1H/t24?,26-,27-,28-,30-;/m0./s1
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n/an/a 1.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50131684
PNG
(CHEMBL3633137)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)C2(O)CCCC2)C(C)C)ccc1OC
Show InChI InChI=1S/C37H63N5O6.ClH/c1-25(2)28(18-27-12-13-32(47-8)33(19-27)48-17-11-16-46-7)20-30(38)31(43)21-29(26(3)4)35(44)39-23-36(5,6)24-42-22-34(40-41-42)37(45)14-9-10-15-37;/h12-13,19,22,25-26,28-31,43,45H,9-11,14-18,20-21,23-24,38H2,1-8H3,(H,39,44);1H/t28-,29-,30-,31-;/m0./s1
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n/an/a 5.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis


Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50131671
PNG
(CHEMBL104625)
Show SMILES C[C@@H]([C@H](O)c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26FNO/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15H2,1H3/t16-,21-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor


J Med Chem 34: 3085-90 (1991)


Article DOI: 10.1021/jm00114a018
BindingDB Entry DOI: 10.7270/Q2FN155W
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Ligand-Target Pair