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Compile Data Set for Download or QSAR

Found 956 hits with Last Name = 'deng' and Initial = 'h'   
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
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [131I]-(R)-8


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172553
PNG
(CHEMBL68641 | [1-(1-Methyl-piperidin-2-ylmethyl)-1...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3
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0.75n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [3H]SR-141,716A


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [131I]-(R)-8


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50172553
PNG
(CHEMBL68641 | [1-(1-Methyl-piperidin-2-ylmethyl)-1...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3
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1.91n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50174549
PNG
((4-Iodo-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25IN2O/c1-28-15-7-6-8-18(28)16-29-17-23(21-11-4-5-12-25(21)29)26(30)22-13-14-24(27)20-10-3-2-9-19(20)22/h2-5,9-14,17-18H,6-8,15-16H2,1H3
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5.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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6.70n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50174547
PNG
(CHEMBL436120 | [6-Iodo-1-(1-methyl-piperidin-2-ylm...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccc(I)cc12
Show InChI InChI=1S/C26H25IN2O/c1-28-14-5-4-9-20(28)16-29-17-24(22-13-12-19(27)15-25(22)29)26(30)23-11-6-8-18-7-2-3-10-21(18)23/h2-3,6-8,10-13,15,17,20H,4-5,9,14,16H2,1H3
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9.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174549
PNG
((4-Iodo-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25IN2O/c1-28-15-7-6-8-18(28)16-29-17-23(21-11-4-5-12-25(21)29)26(30)22-13-14-24(27)20-10-3-2-9-19(20)22/h2-5,9-14,17-18H,6-8,15-16H2,1H3
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10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174547
PNG
(CHEMBL436120 | [6-Iodo-1-(1-methyl-piperidin-2-ylm...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccc(I)cc12
Show InChI InChI=1S/C26H25IN2O/c1-28-14-5-4-9-20(28)16-29-17-24(22-13-12-19(27)15-25(22)29)26(30)23-11-6-8-18-7-2-3-10-21(18)23/h2-3,6-8,10-13,15,17,20H,4-5,9,14,16H2,1H3
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18n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [3H]SR-141,716A


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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34n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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34n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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83n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50370681
PNG
(CHEMBL1788276)
Show SMILES CN1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc12 |r|
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3/t16-/m0/s1
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560n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50370681
PNG
(CHEMBL1788276)
Show SMILES CN1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc12 |r|
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3/t16-/m0/s1
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580n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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700n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human DAGLalpha expressed in HEK293T cell membranes assessed as reduction in hydrolysis of inhibition of [14C]-sn-1-oleoyl-2-arachidono...


J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50174546
PNG
((4-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccc(I)cc2)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-10-12-18(24)13-11-17)20-8-3-4-9-21(20)26(16)15-19-7-5-6-14-25(19)2/h3-4,8-13,19H,5-7,14-15H2,1-2H3
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790n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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800n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293T cell membranes assessed as reduction in glycerol production using 2-arachidonoyl glycerol substrate


J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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1.20E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50050712
PNG
(CHEMBL3318007)
Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(15.61,-25.66,;14.11,-26.02,;13.05,-24.9,;13.67,-27.49,;14.73,-28.62,;14.29,-30.09,;12.8,-30.45,;11.74,-29.34,;12.83,-28.23,;13.22,-29.72,;12.18,-27.86,;11.12,-26.75,;9.63,-27.1,;9.19,-28.58,;7.69,-28.94,;6.63,-27.82,;7.06,-26.35,;8.56,-25.99,;9,-24.51,;7.25,-30.41,;8.2,-31.63,;7.32,-32.91,;5.84,-32.47,;4.53,-33.27,;3.18,-32.54,;3.14,-31,;1.79,-30.27,;4.45,-30.19,;5.8,-30.93,)|
Show InChI InChI=1/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/s2
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1.60E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


J Med Chem 57: 6668-78 (2014)


Article DOI: 10.1021/jm5007275
BindingDB Entry DOI: 10.7270/Q2R21316
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174546
PNG
((4-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccc(I)cc2)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-10-12-18(24)13-11-17)20-8-3-4-9-21(20)26(16)15-19-7-5-6-14-25(19)2/h3-4,8-13,19H,5-7,14-15H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50048618
PNG
(CHEMBL3319622)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H25F3N2O6S/c1-25(2)12-11-18-13-21(8-9-22(18)37-25)38(34,35)31(16-24(32)33)15-17-3-6-20(7-4-17)36-23-10-5-19(14-30-23)26(27,28)29/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,32,33)
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2.70E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293T cell membranes assessed as reduction in glycerol production using 2-arachidonoyl glycerol substrate


J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174545
PNG
((3-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2cccc(I)c2)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-8-7-9-18(24)14-17)20-11-3-4-12-21(20)26(16)15-19-10-5-6-13-25(19)2/h3-4,7-9,11-12,14,19H,5-6,10,13,15H2,1-2H3
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2.90E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50174545
PNG
((3-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2cccc(I)c2)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-8-7-9-18(24)14-17)20-11-3-4-12-21(20)26(16)15-19-10-5-6-13-25(19)2/h3-4,7-9,11-12,14,19H,5-6,10,13,15H2,1-2H3
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9.60E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940


J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50048621
PNG
(CHEMBL3319619)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)14-13-20-16-23(11-12-24(20)33-26)34(30,31)27(18-25(28)29)17-19-7-6-10-22(15-19)32-21-8-4-3-5-9-21/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,28,29)
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1.83E+4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293T cell membranes assessed as reduction in glycerol production using 2-arachidonoyl glycerol substrate


J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033373
PNG
(CHEMBL3357641)
Show SMILES CN(C)C\C=C(/F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1/C24H24ClF2N5O3/c1-32(2)7-5-19(27)24(33)31-21-10-16-20(11-22(21)35-15-6-8-34-12-15)28-13-29-23(16)30-14-3-4-18(26)17(25)9-14/h3-5,9-11,13,15H,6-8,12H2,1-2H3,(H,31,33)(H,28,29,30)/b19-5-/t15-/s2
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n/an/a 0.160n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033374
PNG
(CHEMBL3357637)
Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C
Show InChI InChI=1S/C28H28ClFN6O3/c1-4-38-26-15-23-20(14-24(26)35-28(37)22(30)10-12-36(2)3)27(33-17-32-23)34-18-8-9-25(21(29)13-18)39-16-19-7-5-6-11-31-19/h5-11,13-15,17H,4,12,16H2,1-3H3,(H,35,37)(H,32,33,34)/b22-10-
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n/an/a 0.180n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033376
PNG
(CHEMBL3357634)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C
Show InChI InChI=1S/C21H20ClF2N5O2/c1-29(2)7-6-16(24)21(30)28-18-9-13-17(10-19(18)31-3)25-11-26-20(13)27-12-4-5-15(23)14(22)8-12/h4-6,8-11H,7H2,1-3H3,(H,28,30)(H,25,26,27)/b16-6-
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n/an/a 0.200n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033384
PNG
(CHEMBL3357639)
Show SMILES F\C(=C/CN1CCOCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1/C26H26ClF2N5O4/c27-19-11-16(1-2-20(19)28)32-25-18-12-23(33-26(35)21(29)3-5-34-6-9-36-10-7-34)24(13-22(18)30-15-31-25)38-17-4-8-37-14-17/h1-3,11-13,15,17H,4-10,14H2,(H,33,35)(H,30,31,32)/b21-3-/t17-/s2
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n/an/a 0.260n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033375
PNG
(CHEMBL3357635)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCCCC1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-16(23(29-14-28-20)30-15-5-6-18(26)17(25)11-15)12-21(22)31-24(33)19(27)7-10-32-8-3-2-4-9-32/h5-7,11-14H,2-4,8-10H2,1H3,(H,31,33)(H,28,29,30)/b19-7-
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n/an/a 0.270n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033394
PNG
(CHEMBL3357644)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C/CN1CCOCC1
Show InChI InChI=1S/C23H22ClF2N5O3/c1-33-21-12-19-15(22(28-13-27-19)29-14-2-3-17(25)16(24)10-14)11-20(21)30-23(32)18(26)4-5-31-6-8-34-9-7-31/h2-4,10-13H,5-9H2,1H3,(H,30,32)(H,27,28,29)/b18-4+
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n/an/a 0.300n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033381
PNG
(CHEMBL3357642)
Show SMILES CN(C)C\C=C(\F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1/C24H24ClF2N5O3/c1-32(2)7-5-19(27)24(33)31-21-10-16-20(11-22(21)35-15-6-8-34-12-15)28-13-29-23(16)30-14-3-4-18(26)17(25)9-14/h3-5,9-11,13,15H,6-8,12H2,1-2H3,(H,31,33)(H,28,29,30)/b19-5+/t15-/s2
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n/an/a 0.310n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033380
PNG
(CHEMBL3357643)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCOCC1
Show InChI InChI=1S/C23H22ClF2N5O3/c1-33-21-12-19-15(22(28-13-27-19)29-14-2-3-17(25)16(24)10-14)11-20(21)30-23(32)18(26)4-5-31-6-8-34-9-7-31/h2-4,10-13H,5-9H2,1H3,(H,30,32)(H,27,28,29)/b18-4-
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n/an/a 0.530n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50211257
PNG
(CHEMBL3895863)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC#C)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
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n/an/a 0.631n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 probe binding to DAGLalpha in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured af...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50211240
PNG
(CHEMBL3897587)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
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n/an/a 0.631n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033396
PNG
(CHEMBL3357636)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C/CN1CCCCC1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-16(23(29-14-28-20)30-15-5-6-18(26)17(25)11-15)12-21(22)31-24(33)19(27)7-10-32-8-3-2-4-9-32/h5-7,11-14H,2-4,8-10H2,1H3,(H,31,33)(H,28,29,30)/b19-7+
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n/an/a 0.670n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50211271
PNG
(CHEMBL3913807)
Show SMILES CO[C@@H]1CC[C@H](Cc2ccccc2)N(C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
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n/an/a 0.794n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r|
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n/an/a 0.794n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human DAGLalpha expressed in HEK293T cell membranes using PNP butyrate as substrate by colorimetric assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50211265
PNG
(CHEMBL3954476)
Show SMILES OC(c1cnn(n1)C(=O)N1CCCC[C@@H]1Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
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n/an/a 0.794n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033395
PNG
(CHEMBL3357638)
Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(\F)=C/CN(C)C
Show InChI InChI=1S/C28H28ClFN6O3/c1-4-38-26-15-23-20(14-24(26)35-28(37)22(30)10-12-36(2)3)27(33-17-32-23)34-18-8-9-25(21(29)13-18)39-16-19-7-5-6-11-31-19/h5-11,13-15,17H,4,12,16H2,1-3H3,(H,35,37)(H,32,33,34)/b22-10+
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n/an/a 0.890n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50168737
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of MMP-13 using 5-FAM-TPGPLGL[Dap- (DNP)]ARRK(5-TAMRA)-amide as substrate after 45 mins


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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n/an/a 0.970n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50033382
PNG
(CHEMBL3357640)
Show SMILES F\C(=C\CN1CCOCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1/C26H26ClF2N5O4/c27-19-11-16(1-2-20(19)28)32-25-18-12-23(33-26(35)21(29)3-5-34-6-9-36-10-7-34)24(13-22(18)30-15-31-25)38-17-4-8-37-14-17/h1-3,11-13,15,17H,4-10,14H2,(H,33,35)(H,30,31,32)/b21-3+/t17-/s2
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n/an/a 1n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay


J Med Chem 57: 9889-900 (2014)


Article DOI: 10.1021/jm5014659
BindingDB Entry DOI: 10.7270/Q26W9CPC
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163205
PNG
(US9062045, 44)
Show SMILES COC1CCN(CC1)c1cnc2ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc2c1
Show InChI InChI=1S/C25H24FN7OS/c1-31-14-18(12-28-31)17-11-22(26)24-29-30-25(33(24)15-17)35-21-3-4-23-16(10-21)9-19(13-27-23)32-7-5-20(34-2)6-8-32/h3-4,9-15,20H,5-8H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163224
PNG
(US9062045, 67)
Show SMILES Cn1cc(cn1)-c1cc(F)c2nnc(Sc3ccc4ncc(cc4c3)N3CCC(F)(F)CC3)n2c1
Show InChI InChI=1S/C24H20F3N7S/c1-32-13-17(11-29-32)16-10-20(25)22-30-31-23(34(22)14-16)35-19-2-3-21-15(9-19)8-18(12-28-21)33-6-4-24(26,27)5-7-33/h2-3,8-14H,4-7H2,1H3
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Novartis AG

US Patent


Assay Description
The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-F...


US Patent US9062045 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NDS
More data for this
Ligand-Target Pair
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