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6 similar compounds to monomer 50131675

Compile data set for download or QSAR
Wt: 495.4
BDBM50117298
Wt: 403.4
BDBM50117288
Wt: 327.4
BDBM50131673
Wt: 309.4
BDBM50131674
Wt: 284.3
BDBM50131679
Wt: 420.5
BDBM50117297

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50117298,50117288,50131673,50131674,50131679,50117297   
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))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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370n/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))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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510n/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 VB


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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620n/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))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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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 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 7


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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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 VA


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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850n/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 1


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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3.87E+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
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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7.49E+3 -7.27 3.48E+4n/an/an/an/a7.437



Seoul National University



Assay Description
Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...


J Enzyme Inhib Med Chem 29: 1-6 (2014)


Article DOI: 10.3109/14756366.2012.742517
BindingDB Entry DOI: 10.7270/Q2DJ5DKB
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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9.67E+3n/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))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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1.27E+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))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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1.39E+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 2


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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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))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50131674
PNG
(CHEMBL321349)
Show SMILES C[C@@H]([C@@H](O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO/c1-17(21(23)20-10-6-3-7-11-20)22-14-12-19(13-15-22)16-18-8-4-2-5-9-18/h2-11,17,19,21,23H,12-16H2,1H3/t17-,21+/m0/s1
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n/an/a 400n/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
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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n/an/a 2.02E+4n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged cytoplasmic c-MET kinase domain (956 to 1390 residues) phosphorylation expressed in baculovirus...


Eur J Med Chem 118: 299-315 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.043
BindingDB Entry DOI: 10.7270/Q2GT5Q35
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50117298
PNG
(CHEMBL3613597)
Show SMILES CC(C)c1nn(C)cc1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
Show InChI InChI=1S/C23H27BrN8/c1-15(2)19-17(14-30(3)29-19)22-27-20-21(18(24)12-26-23(20)28-22)32-9-7-31(8-10-32)13-16-5-4-6-25-11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin)


Bioorg Med Chem Lett 25: 3947-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.037
BindingDB Entry DOI: 10.7270/Q2Z039ZQ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50117297
PNG
(CHEMBL3613512)
Show SMILES CN(C)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nccs1
Show InChI InChI=1S/C23H24N4O2S/c1-25(2)20-5-3-4-19(16-20)23(29)27-13-11-26(12-14-27)22(28)18-8-6-17(7-9-18)21-24-10-15-30-21/h3-10,15-16H,11-14H2,1-2H3
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n/an/a 1.84E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay


Eur J Med Chem 101: 780-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.015
BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50131673
PNG
(CHEMBL323338)
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 2.57E+3n/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
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50117288
PNG
(CHEMBL3613496)
Show SMILES Cc1ccnc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C24H22FN3O2/c1-17-9-10-26-22(15-17)18-5-7-19(8-6-18)23(29)27-11-13-28(14-12-27)24(30)20-3-2-4-21(25)16-20/h2-10,15-16H,11-14H2,1H3
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n/an/a 6.33E+4n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay


Eur J Med Chem 101: 780-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.015
BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair