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6 similar compounds to monomer 50131677

Compile data set for download or QSAR
Wt: 670.3
BDBM50131685
Wt: 1118.4
BDBM50104806
Wt: 326.4
BDBM50131676
Wt: 420.4
BDBM50131681
Wt: 448.5
BDBM50104795
Wt: 314.3
BDBM50131678

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50131685,50104806,50131676,50131681,50104795,50131678   
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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104795
PNG
(CHEMBL3597358)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C28H36N2O3/c1-3-5-7-11-19-30(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)29-26(25)21-15-17-22(31)18-16-21/h9-10,13-18,29,31H,3-8,11-12,19-20H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH
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))
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 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 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))
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 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))
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 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 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
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 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 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
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50131676
PNG
(CHEMBL262807)
Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H26N2O2/c1-16(20(24)18-7-9-19(23)10-8-18)22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,20,23-24H,11-15H2,1H3/t16-,20+/m0/s1
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n/an/a 4.63E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against Alpha-1 adrenergic receptor by using [3H]prazosin as radioligand


J Med Chem 34: 3085-90 (1991)


Article DOI: 10.1021/jm00114a018
BindingDB Entry DOI: 10.7270/Q2FN155W
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104806
PNG
(CHEMBL3597503)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC=C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC=C)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
Show InChI InChI=1S/C52H95N17O10/c1-12-17-33(64-47(77)37(26-29(6)7)67-49(79)40(30(8)14-3)69-45(75)34(18-13-2)63-42(72)31(53)19-15-23-60-50(56)57)43(73)65-35(20-16-24-61-51(58)59)44(74)68-38(27-52(9,10)11)48(78)66-36(25-28(4)5)46(76)62-32(41(55)71)21-22-39(54)70/h12-13,28-38,40H,1-2,14-27,53H2,3-11H3,(H2,54,70)(H2,55,71)(H,62,76)(H,63,72)(H,64,77)(H,65,73)(H,66,78)(H,67,79)(H,68,74)(H,69,75)(H4,56,57,60)(H4,58,59,61)/t30-,31-,32-,33?,34+,35-,36-,37-,38?,40-/m0/s1
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n/an/a>1.00E+3n/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