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14 similar compounds to monomer 50207717

Compile data set for download or QSAR
Wt: 255.3
BDBM50207718
Wt: 242.3
BDBM50207719
Wt: 623.7
BDBM50207722
Wt: 640.7
BDBM50207723
Wt: 638.7
BDBM50207724
Wt: 694.6
BDBM50207731
Wt: 652.7
BDBM50207732
Wt: 319.8
BDBM50207736
Wt: 303.3
BDBM50207737
Wt: 299.4
BDBM50207738
Wt: 308.3
BDBM50207714
Wt: 627.6
BDBM50207729
Wt: 681.6
BDBM50207725
Wt: 679.6
BDBM50207730

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50207718,50207719,50207722,50207723,50207724,50207731,50207732,50207736,50207737,50207738,50207714,50207729,50207725,50207730   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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2.90n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207737
PNG
(CHEMBL3928543)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(F)cc2)s1
Show InChI InChI=1S/C11H10FNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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4.40n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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5.20n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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7n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H13NO2S3/c1-9-2-4-10(5-3-9)8-16-11-6-7-12(17-11)18(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
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8.40n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H13NO2S3/c1-9-2-4-10(5-3-9)8-16-11-6-7-12(17-11)18(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
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9.30n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H13NO2S3/c1-9-2-4-10(5-3-9)8-16-11-6-7-12(17-11)18(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
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11n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207737
PNG
(CHEMBL3928543)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(F)cc2)s1
Show InChI InChI=1S/C11H10FNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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11n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207737
PNG
(CHEMBL3928543)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(F)cc2)s1
Show InChI InChI=1S/C11H10FNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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17n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H13NO2S3/c1-9-2-4-10(5-3-9)8-16-11-6-7-12(17-11)18(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
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716n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207737
PNG
(CHEMBL3928543)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(F)cc2)s1
Show InChI InChI=1S/C11H10FNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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737n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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826n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50207724
PNG
(CHEMBL3907382)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(cn4)-c4cc(C)ccc4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H39FN6O4/c1-24-6-7-25(2)31(18-24)43-22-30(39-23-43)36(44)40-26-8-9-33(28(37)19-26)47-32-10-11-38-29-21-35(34(45-4)20-27(29)32)46-17-5-12-42-15-13-41(3)14-16-42/h6-11,18-23H,5,12-17H2,1-4H3,(H,40,44)
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n/an/a 31n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50207725
PNG
(CHEMBL3913121)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(cn4)-c4ccccc4OC(F)(F)F)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H31F4N5O6/c1-45-31-18-23-25(19-32(31)47-14-4-11-42-12-15-46-16-13-42)39-10-9-28(23)48-29-8-7-22(17-24(29)35)41-33(44)26-20-43(21-40-26)27-5-2-3-6-30(27)49-34(36,37)38/h2-3,5-10,17-21H,4,11-16H2,1H3,(H,41,44)
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n/an/a 21n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50207723
PNG
(CHEMBL3931223)
Show SMILES COc1ccccc1-n1cnc(c1)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1
Show InChI InChI=1S/C35H37FN6O5/c1-40-14-16-41(17-15-40)13-6-18-46-34-21-27-25(20-33(34)45-3)30(11-12-37-27)47-31-10-9-24(19-26(31)36)39-35(43)28-22-42(23-38-28)29-7-4-5-8-32(29)44-2/h4-5,7-12,19-23H,6,13-18H2,1-3H3,(H,39,43)
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n/an/a 400n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50207723
PNG
(CHEMBL3931223)
Show SMILES COc1ccccc1-n1cnc(c1)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1
Show InChI InChI=1S/C35H37FN6O5/c1-40-14-16-41(17-15-40)13-6-18-46-34-21-27-25(20-33(34)45-3)30(11-12-37-27)47-31-10-9-24(19-26(31)36)39-35(43)28-22-42(23-38-28)29-7-4-5-8-32(29)44-2/h4-5,7-12,19-23H,6,13-18H2,1-3H3,(H,39,43)
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n/an/a 589n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin)


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50207729
PNG
(CHEMBL3894118)
Show SMILES COc1ccccc1-n1cnc(c1)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(F)c1
Show InChI InChI=1S/C34H34FN5O6/c1-42-31-7-4-3-6-28(31)40-21-27(37-22-40)34(41)38-23-8-9-30(25(35)18-23)46-29-10-11-36-26-20-33(32(43-2)19-24(26)29)45-15-5-12-39-13-16-44-17-14-39/h3-4,6-11,18-22H,5,12-17H2,1-2H3,(H,38,41)
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n/an/a 20n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50207730
PNG
(CHEMBL3912089)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(cn4)-c4ccccc4OC(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-46-32-19-24-26(20-33(32)47-17-7-16-43-14-5-2-6-15-43)40-13-12-29(24)48-30-11-10-23(18-25(30)36)42-34(45)27-21-44(22-41-27)28-8-3-4-9-31(28)49-35(37,38)39/h3-4,8-13,18-22H,2,5-7,14-17H2,1H3,(H,42,45)
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n/an/a 63n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50207723
PNG
(CHEMBL3931223)
Show SMILES COc1ccccc1-n1cnc(c1)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1
Show InChI InChI=1S/C35H37FN6O5/c1-40-14-16-41(17-15-40)13-6-18-46-34-21-27-25(20-33(34)45-3)30(11-12-37-27)47-31-10-9-24(19-26(31)36)39-35(43)28-22-42(23-38-28)29-7-4-5-8-32(29)44-2/h4-5,7-12,19-23H,6,13-18H2,1-3H3,(H,39,43)
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n/an/a 1.10n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50207731
PNG
(CHEMBL3977931)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(cn4)-c4ccccc4OC(F)(F)F)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C35H34F4N6O5/c1-43-13-15-44(16-14-43)12-5-17-48-33-20-26-24(19-32(33)47-2)29(10-11-40-26)49-30-9-8-23(18-25(30)36)42-34(46)27-21-45(22-41-27)28-6-3-4-7-31(28)50-35(37,38)39/h3-4,6-11,18-22H,5,12-17H2,1-2H3,(H,42,46)
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n/an/a 43n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50207732
PNG
(CHEMBL3913527)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)\C=C\S(=O)(=O)c4ccccc4F)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C33H34F2N4O6S/c1-38-14-16-39(17-15-38)13-5-18-44-31-22-27-24(21-30(31)43-2)28(10-12-36-27)45-29-9-8-23(20-26(29)35)37-33(40)11-19-46(41,42)32-7-4-3-6-25(32)34/h3-4,6-12,19-22H,5,13-18H2,1-2H3,(H,37,40)/b19-11+
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n/an/a 17n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50207723
PNG
(CHEMBL3931223)
Show SMILES COc1ccccc1-n1cnc(c1)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1
Show InChI InChI=1S/C35H37FN6O5/c1-40-14-16-41(17-15-40)13-6-18-46-34-21-27-25(20-33(34)45-3)30(11-12-37-27)47-31-10-9-24(19-26(31)36)39-35(43)28-22-42(23-38-28)29-7-4-5-8-32(29)44-2/h4-5,7-12,19-23H,6,13-18H2,1-3H3,(H,39,43)
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n/an/a 270n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin)


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50207723
PNG
(CHEMBL3931223)
Show SMILES COc1ccccc1-n1cnc(c1)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1
Show InChI InChI=1S/C35H37FN6O5/c1-40-14-16-41(17-15-40)13-6-18-46-34-21-27-25(20-33(34)45-3)30(11-12-37-27)47-31-10-9-24(19-26(31)36)39-35(43)28-22-42(23-38-28)29-7-4-5-8-32(29)44-2/h4-5,7-12,19-23H,6,13-18H2,1-3H3,(H,39,43)
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n/an/a>3.33E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin)


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50207723
PNG
(CHEMBL3931223)
Show SMILES COc1ccccc1-n1cnc(c1)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1
Show InChI InChI=1S/C35H37FN6O5/c1-40-14-16-41(17-15-40)13-6-18-46-34-21-27-25(20-33(34)45-3)30(11-12-37-27)47-31-10-9-24(19-26(31)36)39-35(43)28-22-42(23-38-28)29-7-4-5-8-32(29)44-2/h4-5,7-12,19-23H,6,13-18H2,1-3H3,(H,39,43)
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n/an/a 690n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50207722
PNG
(CHEMBL3931043)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(cn4)-c4cc(C)ccc4C)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C36H38FN5O4/c1-24-8-9-25(2)31(18-24)42-22-30(39-23-42)36(43)40-26-10-11-33(28(37)19-26)46-32-12-13-38-29-21-35(34(44-3)20-27(29)32)45-17-7-16-41-14-5-4-6-15-41/h8-13,18-23H,4-7,14-17H2,1-3H3,(H,40,43)
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n/an/a 29n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 25: 886-896 (2017)


Article DOI: 10.1016/j.bmc.2016.12.002
BindingDB Entry DOI: 10.7270/Q2QV3PHW
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50207718
PNG
(CHEMBL3959972)
Show SMILES CCC(=O)N1CCc2[nH]nc(c2C1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
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n/an/an/a 8.63E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using methanol by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50207719
PNG
(CHEMBL1360858)
Show SMILES CC(=O)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3
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n/an/an/a 1.21E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using methanol by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50207718
PNG
(CHEMBL3959972)
Show SMILES CCC(=O)N1CCc2[nH]nc(c2C1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
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n/an/an/a 1.74E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 0.5% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50207718
PNG
(CHEMBL3959972)
Show SMILES CCC(=O)N1CCc2[nH]nc(c2C1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
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n/an/an/a 3.65E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 0.5% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50207719
PNG
(CHEMBL1360858)
Show SMILES CC(=O)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3
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n/an/an/a 8.48E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using methanol by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50207718
PNG
(CHEMBL3959972)
Show SMILES CCC(=O)N1CCc2[nH]nc(c2C1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
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n/an/an/a 2.67E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 3% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50207718
PNG
(CHEMBL3959972)
Show SMILES CCC(=O)N1CCc2[nH]nc(c2C1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
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n/an/an/a 7.08E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 1% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50207718
PNG
(CHEMBL3959972)
Show SMILES CCC(=O)N1CCc2[nH]nc(c2C1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
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n/an/an/a 9.70E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 3% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50207718
PNG
(CHEMBL3959972)
Show SMILES CCC(=O)N1CCc2[nH]nc(c2C1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
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n/an/an/a 3.13E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 1% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Rattus norvegicus (rat))
BDBM50207714
PNG
(CHEMBL3933992)
Show SMILES CC(Oc1ccc(cc1)-c1ccccc1)C(=O)Cn1cnnn1
Show InChI InChI=1S/C17H16N4O2/c1-13(17(22)11-21-12-18-19-20-21)23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
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n/an/a 19n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain microsomes using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate after 60 mins by fluorescence-based reversed ...


Bioorg Med Chem 25: 825-837 (2017)


Article DOI: 10.1016/j.bmc.2016.11.025
BindingDB Entry DOI: 10.7270/Q20C4XQH
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50207718
PNG
(CHEMBL3959972)
Show SMILES CCC(=O)N1CCc2[nH]nc(c2C1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
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n/an/an/a 1.53E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using methanol by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)