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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'joe' and Initial = 'by'   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332481
PNG
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)
Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332481
PNG
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)
Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332476
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-11-12-27-24(17-21)20-25(29(33)36-27)19-23(28(32)30-34)9-5-7-22-8-6-10-26(18-22)35-16-15-31-13-3-2-4-14-31/h6,8,10-12,17-18,20,23,34H,2-5,7,9,13-16,19H2,1H3,(H,30,32)
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n/an/a 0.270n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332476
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-11-12-27-24(17-21)20-25(29(33)36-27)19-23(28(32)30-34)9-5-7-22-8-6-10-26(18-22)35-16-15-31-13-3-2-4-14-31/h6,8,10-12,17-18,20,23,34H,2-5,7,9,13-16,19H2,1H3,(H,30,32)
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n/an/a 0.270n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332480
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30)
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n/an/a 0.280n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332470
PNG
(CHEMBL1630100 | N-Hydroxy-4-(4-hydroxyphenyl)-2-((...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(O)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C21H21NO5/c1-13-2-9-19-16(10-13)12-17(21(25)27-19)11-15(20(24)22-26)6-3-14-4-7-18(23)8-5-14/h2,4-5,7-10,12,15,23,26H,3,6,11H2,1H3,(H,22,24)
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n/an/a 0.300n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332479
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-fluoro-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C26H31FN2O5/c1-3-29(4-2)13-14-33-23-11-6-18(7-12-23)5-8-20(25(30)28-32)16-21-15-19-9-10-22(27)17-24(19)34-26(21)31/h6-7,9-12,15,17,20,32H,3-5,8,13-14,16H2,1-2H3,(H,28,30)
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n/an/a 0.460n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224961
PNG
(2-benzyl-N-hydroxy-3-(6-methyl-2-oxo-2H-chromen-3-...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccccc3)C(=O)NO)cc2c1 |w:10.10|
Show InChI InChI=1S/C20H19NO4/c1-13-7-8-18-15(9-13)11-17(20(23)25-18)12-16(19(22)21-24)10-14-5-3-2-4-6-14/h2-9,11,16,24H,10,12H2,1H3,(H,21,22)
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n/an/a 0.5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332478
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((6-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-11-8-20(9-12-24)7-10-21(26(30)28-32)17-23-18-22-16-19(3)6-13-25(22)34-27(23)31/h6,8-9,11-13,16,18,21,32H,4-5,7,10,14-15,17H2,1-3H3,(H,28,30)
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n/an/a 0.530n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332477
PNG
(4-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-((6-methyl...)
Show SMILES CN(C)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C25H30N2O5/c1-17-4-11-23-20(14-17)16-21(25(29)32-23)15-19(24(28)26-30)8-5-18-6-9-22(10-7-18)31-13-12-27(2)3/h4,6-7,9-11,14,16,19,30H,5,8,12-13,15H2,1-3H3,(H,26,28)
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n/an/a 0.660n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332477
PNG
(4-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-((6-methyl...)
Show SMILES CN(C)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C25H30N2O5/c1-17-4-11-23-20(14-17)16-21(25(29)32-23)15-19(24(28)26-30)8-5-18-6-9-22(10-7-18)31-13-12-27(2)3/h4,6-7,9-11,14,16,19,30H,5,8,12-13,15H2,1-3H3,(H,26,28)
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n/an/a 0.660n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332474
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C28H34N2O5/c1-20-8-11-26-23(16-20)19-24(28(32)35-26)18-22(27(31)29-33)10-9-21-6-5-7-25(17-21)34-15-14-30-12-3-2-4-13-30/h5-8,11,16-17,19,22,33H,2-4,9-10,12-15,18H2,1H3,(H,29,31)
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n/an/a 0.900n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332473
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(4-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C28H34N2O5/c1-20-5-12-26-23(17-20)19-24(28(32)35-26)18-22(27(31)29-33)9-6-21-7-10-25(11-8-21)34-16-15-30-13-3-2-4-14-30/h5,7-8,10-12,17,19,22,33H,2-4,6,9,13-16,18H2,1H3,(H,29,31)
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n/an/a 1n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332472
PNG
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(3-(2-(piperi...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C27H32N2O5/c1-19-8-9-25-21(14-19)17-23(27(31)34-25)18-22(26(30)28-32)15-20-6-5-7-24(16-20)33-13-12-29-10-3-2-4-11-29/h5-9,14,16-17,22,32H,2-4,10-13,15,18H2,1H3,(H,28,30)
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n/an/a 1.10n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332475
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(4-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-8-13-27-24(18-21)20-25(29(33)36-27)19-23(28(32)30-34)7-5-6-22-9-11-26(12-10-22)35-17-16-31-14-3-2-4-15-31/h8-13,18,20,23,34H,2-7,14-17,19H2,1H3,(H,30,32)
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n/an/a 1.10n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224956
PNG
(CHEMBL253710 | N-hydroxy-2-methyl-3-(6-methyl-2-ox...)
Show SMILES CC(Cc1cc2cc(C)ccc2oc1=O)C(=O)NO |w:1.0|
Show InChI InChI=1S/C14H15NO4/c1-8-3-4-12-10(5-8)7-11(14(17)19-12)6-9(2)13(16)15-18/h3-5,7,9,18H,6H2,1-2H3,(H,15,16)
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n/an/a 3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE

Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224961
PNG
(2-benzyl-N-hydroxy-3-(6-methyl-2-oxo-2H-chromen-3-...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccccc3)C(=O)NO)cc2c1 |w:10.10|
Show InChI InChI=1S/C20H19NO4/c1-13-7-8-18-15(9-13)11-17(20(23)25-18)12-16(19(22)21-24)10-14-5-3-2-4-6-14/h2-9,11,16,24H,10,12H2,1H3,(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE

Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50224959
PNG
(3-(5-(hexa-2,4-dienylidene)-2-oxo-5,6-dihydro-2H-p...)
Show SMILES C\C=C\C=C/C=C1\COC(=O)C(CCC(=O)NO)=C1 |c:17|
Show InChI InChI=1S/C14H17NO4/c1-2-3-4-5-6-11-9-12(14(17)19-10-11)7-8-13(16)15-18/h2-6,9,18H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4-,11-6-
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n/an/a 6n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2

Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332471
PNG
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(4-(2-(piperi...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C27H32N2O5/c1-19-5-10-25-21(15-19)17-23(27(31)34-25)18-22(26(30)28-32)16-20-6-8-24(9-7-20)33-14-13-29-11-3-2-4-12-29/h5-10,15,17,22,32H,2-4,11-14,16,18H2,1H3,(H,28,30)
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n/an/a 11n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314497
PNG
(9-(1-ethylpyrrolidin-3-yloxy)-4,6-dihydro-1H-thiop...)
Show SMILES CCN1CCC(C1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C18H22N2O2S/c1-2-20-7-5-13(10-20)22-12-3-4-17-15(9-12)14-6-8-23-11-16(14)18(21)19-17/h3-4,9,13H,2,5-8,10-11H2,1H3,(H,19,21)
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n/an/a 13n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50224959
PNG
(3-(5-(hexa-2,4-dienylidene)-2-oxo-5,6-dihydro-2H-p...)
Show SMILES C\C=C\C=C/C=C1\COC(=O)C(CCC(=O)NO)=C1 |c:17|
Show InChI InChI=1S/C14H17NO4/c1-2-3-4-5-6-11-9-12(14(17)19-10-11)7-8-13(16)15-18/h2-6,9,18H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4-,11-6-
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n/an/a 23n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9

Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314494
PNG
(9-(1-ethylpiperidin-3-yloxy)-4,6-dihydro-1H-thiopy...)
Show SMILES CCN1CCCC(C1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C19H24N2O2S/c1-2-21-8-3-4-14(11-21)23-13-5-6-18-16(10-13)15-7-9-24-12-17(15)19(22)20-18/h5-6,10,14H,2-4,7-9,11-12H2,1H3,(H,20,22)
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n/an/a 25n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314492
PNG
(9-(piperidin-3-yloxy)-4,6-dihydro-1H-thiopyrano[3,...)
Show SMILES O=c1[nH]c2ccc(OC3CCCNC3)cc2c2CCSCc12
Show InChI InChI=1S/C17H20N2O2S/c20-17-15-10-22-7-5-13(15)14-8-11(3-4-16(14)19-17)21-12-2-1-6-18-9-12/h3-4,8,12,18H,1-2,5-7,9-10H2,(H,19,20)
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n/an/a 28n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224959
PNG
(3-(5-(hexa-2,4-dienylidene)-2-oxo-5,6-dihydro-2H-p...)
Show SMILES C\C=C\C=C/C=C1\COC(=O)C(CCC(=O)NO)=C1 |c:17|
Show InChI InChI=1S/C14H17NO4/c1-2-3-4-5-6-11-9-12(14(17)19-10-11)7-8-13(16)15-18/h2-6,9,18H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4-,11-6-
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n/an/a 28n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE

Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314485
PNG
(9-(1-(2-hydroxyethyl)piperidin-4-yloxy)-4,6-dihydr...)
Show SMILES OCCN1CCC(CC1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C19H24N2O3S/c22-9-8-21-6-3-13(4-7-21)24-14-1-2-18-16(11-14)15-5-10-25-12-17(15)19(23)20-18/h1-2,11,13,22H,3-10,12H2,(H,20,23)
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n/an/a 29n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224960
PNG
(2-(6-methyl-2-oxo-2H-chromen-3-ylmethyl)-pent-4-en...)
Show SMILES Cc1ccc2oc(=O)c(CC(CC=C)C(=O)NO)cc2c1 |w:10.10|
Show InChI InChI=1S/C16H17NO4/c1-3-4-11(15(18)17-20)8-13-9-12-7-10(2)5-6-14(12)21-16(13)19/h3,5-7,9,11,20H,1,4,8H2,2H3,(H,17,18)
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n/an/a 30n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE

Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332482
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-6-pheny...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCCc3ccccc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C23H25NO4/c1-16-11-12-21-19(13-16)15-20(23(26)28-21)14-18(22(25)24-27)10-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-13,15,18,27H,5-6,9-10,14H2,1H3,(H,24,25)
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n/an/a 33n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224954
PNG
(CHEMBL252693 | N-hydroxy-2-((6-methoxy-2H-chromen-...)
Show SMILES COc1ccc2oc(=O)c(CC(C)C(=O)NO)cc2c1 |w:11.11|
Show InChI InChI=1S/C14H15NO5/c1-8(13(16)15-18)5-10-6-9-7-11(19-2)3-4-12(9)20-14(10)17/h3-4,6-8,18H,5H2,1-2H3,(H,15,16)
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n/an/a 36n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE

Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314490
PNG
(9-(1-phenethylpiperidin-4-yloxy)-4,6-dihydro-1H-th...)
Show SMILES O=c1[nH]c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2c2CCSCc12
Show InChI InChI=1S/C25H28N2O2S/c28-25-23-17-30-15-11-21(23)22-16-20(6-7-24(22)26-25)29-19-9-13-27(14-10-19)12-8-18-4-2-1-3-5-18/h1-7,16,19H,8-15,17H2,(H,26,28)
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n/an/a 38n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314493
PNG
(9-(1-methylpiperidin-3-yloxy)-4,6-dihydro-1H-thiop...)
Show SMILES CN1CCCC(C1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C18H22N2O2S/c1-20-7-2-3-13(10-20)22-12-4-5-17-15(9-12)14-6-8-23-11-16(14)18(21)19-17/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,19,21)
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n/an/a 39n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314486
PNG
(9-(1-(2-methoxyethyl)piperidin-4-yloxy)-4,6-dihydr...)
Show SMILES COCCN1CCC(CC1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C20H26N2O3S/c1-24-10-9-22-7-4-14(5-8-22)25-15-2-3-19-17(12-15)16-6-11-26-13-18(16)20(23)21-19/h2-3,12,14H,4-11,13H2,1H3,(H,21,23)
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n/an/a 40n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM27525
PNG
(N-[3-(morpholin-4-yl)propyl]-8-oxo-9-azatetracyclo...)
Show SMILES O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H25N3O4S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27)
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n/an/a 40n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314482
PNG
(9-(1-propylpiperidin-4-yloxy)-4,6-dihydro-1H-thiop...)
Show SMILES CCCN1CCC(CC1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C20H26N2O2S/c1-2-8-22-9-5-14(6-10-22)24-15-3-4-19-17(12-15)16-7-11-25-13-18(16)20(23)21-19/h3-4,12,14H,2,5-11,13H2,1H3,(H,21,23)
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n/an/a 42n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314483
PNG
(9-(1-pentylpiperidin-4-yloxy)-4,6-dihydro-1H-thiop...)
Show SMILES CCCCCN1CCC(CC1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C22H30N2O2S/c1-2-3-4-10-24-11-7-16(8-12-24)26-17-5-6-21-19(14-17)18-9-13-27-15-20(18)22(25)23-21/h5-6,14,16H,2-4,7-13,15H2,1H3,(H,23,25)
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n/an/a 45n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314489
PNG
(9-(1-benzylpiperidin-4-yloxy)-4,6-dihydro-1H-thiop...)
Show SMILES O=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2CCSCc12
Show InChI InChI=1S/C24H26N2O2S/c27-24-22-16-29-13-10-20(22)21-14-19(6-7-23(21)25-24)28-18-8-11-26(12-9-18)15-17-4-2-1-3-5-17/h1-7,14,18H,8-13,15-16H2,(H,25,27)
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n/an/a 53n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314495
PNG
(9-(1-propylpiperidin-3-yloxy)-4,6-dihydro-1H-thiop...)
Show SMILES CCCN1CCCC(C1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C20H26N2O2S/c1-2-8-22-9-3-4-15(12-22)24-14-5-6-19-17(11-14)16-7-10-25-13-18(16)20(23)21-19/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,21,23)
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n/an/a 56n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332480
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30)
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n/an/a 60n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224958
PNG
(CHEMBL253489 | N-hydroxy-3-(6-methyl-2-oxo-2H-chro...)
Show SMILES Cc1ccc2oc(=O)c(CCC(=O)NO)cc2c1
Show InChI InChI=1S/C13H13NO4/c1-8-2-4-11-10(6-8)7-9(13(16)18-11)3-5-12(15)14-17/h2,4,6-7,17H,3,5H2,1H3,(H,14,15)
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n/an/a 60n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE

Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50135482
PNG
(1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...)
Show SMILES COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:15|
Show InChI InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)
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n/an/a 62n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta kinase (unknown origin) by Lance ULight system

Bioorg Med Chem Lett 24: 2655-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.058
BindingDB Entry DOI: 10.7270/Q20C4X94
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50018492
PNG
(CHEMBL3290626)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3scc(C)c23)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C16H12N4O2S2/c1-8-6-11(21)20(16(8)22)19-14-12-9(2)7-24-15(12)18-13(17-14)10-4-3-5-23-10/h3-7H,1-2H3,(H,17,18,19)
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n/an/a 65n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 kinase (unknown origin)

Bioorg Med Chem Lett 24: 2655-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.058
BindingDB Entry DOI: 10.7270/Q20C4X94
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332479
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-fluoro-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C26H31FN2O5/c1-3-29(4-2)13-14-33-23-11-6-18(7-12-23)5-8-20(25(30)28-32)16-21-15-19-9-10-22(27)17-24(19)34-26(21)31/h6-7,9-12,15,17,20,32H,3-5,8,13-14,16H2,1-2H3,(H,28,30)
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n/an/a 70n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314484
PNG
(9-(1-isopentylpiperidin-4-yloxy)-4,6-dihydro-1H-th...)
Show SMILES CC(C)CCN1CCC(CC1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C22H30N2O2S/c1-15(2)5-9-24-10-6-16(7-11-24)26-17-3-4-21-19(13-17)18-8-12-27-14-20(18)22(25)23-21/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,23,25)
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n/an/a 71n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314496
PNG
(9-(1-methylpyrrolidin-3-yloxy)-4,6-dihydro-1H-thio...)
Show SMILES CN1CCC(C1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C17H20N2O2S/c1-19-6-4-12(9-19)21-11-2-3-16-14(8-11)13-5-7-22-10-15(13)17(20)18-16/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,20)
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n/an/a 80n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50018490
PNG
(CHEMBL3290634)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3scc(-c4ccc(OCCN5CCCCC5)cc4)c23)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C28H27N5O3S2.ClH/c1-18-16-23(34)33(28(18)35)31-26-24-21(17-38-27(24)30-25(29-26)22-6-5-15-37-22)19-7-9-20(10-8-19)36-14-13-32-11-3-2-4-12-32;/h5-10,15-17H,2-4,11-14H2,1H3,(H,29,30,31);1H
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n/an/a 85n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 kinase (unknown origin)

Bioorg Med Chem Lett 24: 2655-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.058
BindingDB Entry DOI: 10.7270/Q20C4X94
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50314481
PNG
(9-hydroxy-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin...)
Show SMILES Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C12H11NO2S/c14-7-1-2-11-9(5-7)8-3-4-16-6-10(8)12(15)13-11/h1-2,5,14H,3-4,6H2,(H,13,15)
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n/an/a 99n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PARP1

Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM13535
PNG
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
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n/an/a 102n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 kinase (unknown origin)

Bioorg Med Chem Lett 24: 2655-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.058
BindingDB Entry DOI: 10.7270/Q20C4X94
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224955
PNG
(CHEMBL402990 | N-hydroxy-3-(6-methoxy-2-oxo-2H-chr...)
Show SMILES COc1ccc2oc(=O)c(CCC(=O)NO)cc2c1
Show InChI InChI=1S/C13H13NO5/c1-18-10-3-4-11-9(7-10)6-8(13(16)19-11)2-5-12(15)14-17/h3-4,6-7,17H,2,5H2,1H3,(H,14,15)
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n/an/a 110n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE

Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a 120n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 kinase (unknown origin)

Bioorg Med Chem Lett 24: 2655-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.058
BindingDB Entry DOI: 10.7270/Q20C4X94
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50018499
PNG
(CHEMBL3290631)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3scc(-c4cccc(OCCN5CCCCC5)c4)c23)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C28H27N5O3S2.ClH/c1-18-15-23(34)33(28(18)35)31-26-24-21(17-38-27(24)30-25(29-26)22-9-6-14-37-22)19-7-5-8-20(16-19)36-13-12-32-10-3-2-4-11-32;/h5-9,14-17H,2-4,10-13H2,1H3,(H,29,30,31);1H
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n/an/a 133n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 kinase (unknown origin)

Bioorg Med Chem Lett 24: 2655-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.058
BindingDB Entry DOI: 10.7270/Q20C4X94
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332478
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((6-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-11-8-20(9-12-24)7-10-21(26(30)28-32)17-23-18-22-16-19(3)6-13-25(22)34-27(23)31/h6,8-9,11-13,16,18,21,32H,4-5,7,10,14-15,17H2,1-3H3,(H,28,30)
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n/an/a 140n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
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