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Compile Data Set for Download or QSAR

Found 5655 hits with Last Name = 'patel' and Initial = 'v'   
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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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0.130n/an/an/an/an/an/an/an/a



The Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3...


Bioorg Med Chem Lett 18: 2809-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.007
BindingDB Entry DOI: 10.7270/Q2ST7QR7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139889
PNG
(US8895592, 19)
Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCCO)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C21H27F3N2O3S/c1-13(2)11-26-12-17(20(3,4)5)30-19(26)25-18(28)15-10-14(21(22,23)24)6-7-16(15)29-9-8-27/h6-7,10,12-13,27H,8-9,11H2,1-5H3/b25-19-
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0.150n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17689
PNG
(2-aminobenzimidazole, 14 | N-{4-chloro-3-[(4-methy...)
Show SMILES COc1cc2nccc(Oc3ccc4nc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)[nH]c4c3)c2cc1OC
Show InChI InChI=1S/C30H31ClN6O3/c1-36-10-12-37(13-11-36)18-19-14-20(4-6-23(19)31)33-30-34-24-7-5-21(15-26(24)35-30)40-27-8-9-32-25-17-29(39-3)28(38-2)16-22(25)27/h4-9,14-17H,10-13,18H2,1-3H3,(H2,33,34,35)
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0.200 -54.8n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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0.260n/an/an/an/an/an/an/an/a



The Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3...


Bioorg Med Chem Lett 18: 2809-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.007
BindingDB Entry DOI: 10.7270/Q2ST7QR7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
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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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17705
PNG
(2-aminobenzoxazole, 30 | N-{4-chloro-3-[(4-methylp...)
Show SMILES COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)nc4c3)c2cc1OC
Show InChI InChI=1S/C30H30ClN5O4/c1-35-10-12-36(13-11-35)18-19-14-20(4-6-23(19)31)33-30-34-25-15-21(5-7-27(25)40-30)39-26-8-9-32-24-17-29(38-3)28(37-2)16-22(24)26/h4-9,14-17H,10-13,18H2,1-3H3,(H,33,34)
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0.5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17703
PNG
(2-aminobenzoxazole, 28 | N-(4-chloro-3-{[(2S)-1-me...)
Show SMILES COc1cc2ncnc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCCN6C)c5)nc4c3)c2cc1OC
Show InChI InChI=1S/C29H28ClN5O5/c1-35-10-4-5-18(35)15-38-25-11-17(6-8-21(25)30)33-29-34-23-12-19(7-9-24(23)40-29)39-28-20-13-26(36-2)27(37-3)14-22(20)31-16-32-28/h6-9,11-14,16,18H,4-5,10,15H2,1-3H3,(H,33,34)/t18-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17704
PNG
(2-aminobenzoxazole, 29 | N-(4-chloro-3-{[(2S)-1-me...)
Show SMILES COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCCN6C)c5)nc4c3)c2cc1OC
Show InChI InChI=1S/C30H29ClN4O5/c1-35-12-4-5-19(35)17-38-27-13-18(6-8-22(27)31)33-30-34-24-14-20(7-9-26(24)40-30)39-25-10-11-32-23-16-29(37-3)28(36-2)15-21(23)25/h6-11,13-16,19H,4-5,12,17H2,1-3H3,(H,33,34)/t19-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM139889
PNG
(US8895592, 19)
Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCCO)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C21H27F3N2O3S/c1-13(2)11-26-12-17(20(3,4)5)30-19(26)25-18(28)15-10-14(21(22,23)24)6-7-16(15)29-9-8-27/h6-7,10,12-13,27H,8-9,11H2,1-5H3/b25-19-
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US Patent
0.730n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139900
PNG
(US8895592, 30)
Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1CCC#C)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H28F3N3O2S/c1-8-9-12-29-14-18(21(2,3)4)32-20(29)27-19(30)16-13-15(23(24,25)26)10-11-17(16)31-28-22(5,6)7/h1,10-11,13-14,28H,9,12H2,2-7H3/b27-20-
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0.75n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139906
PNG
(US8895592, 37)
Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C25H28F3N5O2S/c1-5-6-12-33-15-20(24(2,3)4)36-23(33)30-22(35)18-13-17(25(26,27)28)9-10-19(18)31-32-21(34)16-8-7-11-29-14-16/h7-11,13-15,31H,5-6,12H2,1-4H3,(H,32,34)/b30-23-
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0.770n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM139902
PNG
(US8895592, 32)
Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1OCC(C)(C)O)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C23H31F3N2O3S/c1-7-8-11-28-13-18(21(2,3)4)32-20(28)27-19(29)16-12-15(23(24,25)26)9-10-17(16)31-14-22(5,6)30/h9-10,12-13,30H,7-8,11,14H2,1-6H3/b27-20-
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0.820n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139893
PNG
(US8895592, 23)
Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1ONC(C)(C)C)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C23H32F3N3O2S/c1-8-9-12-29-14-18(21(2,3)4)32-20(29)27-19(30)16-13-15(23(24,25)26)10-11-17(16)31-28-22(5,6)7/h10-11,13-14,28H,8-9,12H2,1-7H3/b27-20-
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0.950n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272598
PNG
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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1n/an/an/an/an/an/an/an/a



The Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3...


Bioorg Med Chem Lett 18: 2809-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.007
BindingDB Entry DOI: 10.7270/Q2ST7QR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17687
PNG
(2-aminobenzimidazole, 12 | N-(3-{[(2R)-1-methylpyr...)
Show SMILES CN1CCC[C@@H]1COc1cc(Nc2nc3ccc(Oc4ccnc5ccccc45)cc3[nH]2)ccc1C(F)(F)F
Show InChI InChI=1S/C29H26F3N5O2/c1-37-14-4-5-19(37)17-38-27-15-18(8-10-22(27)29(30,31)32)34-28-35-24-11-9-20(16-25(24)36-28)39-26-12-13-33-23-7-3-2-6-21(23)26/h2-3,6-13,15-16,19H,4-5,14,17H2,1H3,(H2,34,35,36)/t19-/m1/s1
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1 -50.9n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12569
PNG
(GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H30ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3/t17-,23-/m0/s1
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1 -51.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12557
PNG
(6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m0/s1
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1 -51.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM139907
PNG
(US8895592, 38)
Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C25H28F3N5O2S/c1-5-6-13-33-15-20(24(2,3)4)36-23(33)30-22(35)18-14-17(25(26,27)28)7-8-19(18)31-32-21(34)16-9-11-29-12-10-16/h7-12,14-15,31H,5-6,13H2,1-4H3,(H,32,34)/b30-23-
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1.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139872
PNG
(US8895592, 2)
Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(Cl)ccc1OCC(N)=O)C(C)(C)C
Show InChI InChI=1S/C20H26ClN3O3S/c1-5-6-9-24-11-16(20(2,3)4)28-19(24)23-18(26)14-10-13(21)7-8-15(14)27-12-17(22)25/h7-8,10-11H,5-6,9,12H2,1-4H3,(H2,22,25)/b23-19-
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1.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139885
PNG
(US8895592, 15)
Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(Cl)ccc1OC1CC1)C(C)(C)C
Show InChI InChI=1S/C21H27ClN2O2S/c1-13(2)11-24-12-18(21(3,4)5)27-20(24)23-19(25)16-10-14(22)6-9-17(16)26-15-7-8-15/h6,9-10,12-13,15H,7-8,11H2,1-5H3/b23-20-
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1.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139887
PNG
(US8895592, 17)
Show SMILES CC(C)(C)c1cn(CCC(F)(F)F)\c(=N\C(=O)c2cc(ccc2OC2CCC2)C#N)s1
Show InChI InChI=1S/C22H24F3N3O2S/c1-21(2,3)18-13-28(10-9-22(23,24)25)20(31-18)27-19(29)16-11-14(12-26)7-8-17(16)30-15-5-4-6-15/h7-8,11,13,15H,4-6,9-10H2,1-3H3/b27-20-
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1.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139902
PNG
(US8895592, 32)
Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1OCC(C)(C)O)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C23H31F3N2O3S/c1-7-8-11-28-13-18(21(2,3)4)32-20(28)27-19(29)16-12-15(23(24,25)26)9-10-17(16)31-14-22(5,6)30/h9-10,12-13,30H,7-8,11,14H2,1-6H3/b27-20-
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1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50200028
PNG
(2-methoxy-N-(3',4',5',6'-tetrahydro-2'H-[2,4'-bipy...)
Show SMILES COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)21(24)22-15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM139905
PNG
(US8895592, 36)
Show SMILES CCCCn1c2cccnc2sc1=NC(=O)c1cc(ccc1OC[C@H](C)O)C(F)(F)F
Show InChI InChI=1S/C21H22F3N3O3S/c1-3-4-10-27-16-6-5-9-25-19(16)31-20(27)26-18(29)15-11-14(21(22,23)24)7-8-17(15)30-12-13(2)28/h5-9,11,13,28H,3-4,10,12H2,1-2H3/b26-20-/t13-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139888
PNG
(US8895592, 18)
Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCCOC(C)=O)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C23H29F3N2O4S/c1-14(2)12-28-13-19(22(4,5)6)33-21(28)27-20(30)17-11-16(23(24,25)26)7-8-18(17)32-10-9-31-15(3)29/h7-8,11,13-14H,9-10,12H2,1-6H3/b27-21-
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1.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM139895
PNG
(US8895592, 25)
Show SMILES CCCCn1c2cnccc2s\c1=N/C(=O)c1cc(ccc1OCCNC(C)=O)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-3-4-10-29-17-13-26-8-7-19(17)33-21(29)28-20(31)16-12-15(22(23,24)25)5-6-18(16)32-11-9-27-14(2)30/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,27,30)/b28-21-
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1.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



The Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3...


Bioorg Med Chem Lett 18: 2809-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.007
BindingDB Entry DOI: 10.7270/Q2ST7QR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17709
PNG
(2-aminobenzoxazole, 34 | N-(4-chloro-3-{[(2S)-1-me...)
Show SMILES CN1CCC[C@H]1COc1cc(Nc2nc3cc(Oc4ccnc5[nH]ccc45)ccc3o2)ccc1Cl
Show InChI InChI=1S/C26H24ClN5O3/c1-32-12-2-3-17(32)15-33-24-13-16(4-6-20(24)27)30-26-31-21-14-18(5-7-23(21)35-26)34-22-9-11-29-25-19(22)8-10-28-25/h4-11,13-14,17H,2-3,12,15H2,1H3,(H,28,29)(H,30,31)/t17-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM139906
PNG
(US8895592, 37)
Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C25H28F3N5O2S/c1-5-6-12-33-15-20(24(2,3)4)36-23(33)30-22(35)18-13-17(25(26,27)28)9-10-19(18)31-32-21(34)16-8-7-11-29-14-16/h7-11,13-15,31H,5-6,12H2,1-4H3,(H,32,34)/b30-23-
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1.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139901
PNG
(US8895592, 31)
Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1CC=C=C)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H28F3N3O2S/c1-8-9-12-29-14-18(21(2,3)4)32-20(29)27-19(30)16-13-15(23(24,25)26)10-11-17(16)31-28-22(5,6)7/h9-11,13-14,28H,1,12H2,2-7H3/b27-20-
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1.70n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
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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1.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17710
PNG
(2-aminobenzoxazole, 35 | N-{4-chloro-3-[(4-methylp...)
Show SMILES CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6[nH]ccc56)ccc4o3)ccc2Cl)CC1
Show InChI InChI=1S/C26H25ClN6O2/c1-32-10-12-33(13-11-32)16-17-14-18(2-4-21(17)27)30-26-31-22-15-19(3-5-24(22)35-26)34-23-7-9-29-25-20(23)6-8-28-25/h2-9,14-15H,10-13,16H2,1H3,(H,28,29)(H,30,31)
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2n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM139899
PNG
(US8895592, 29)
Show SMILES CCCCn1c2cnccc2s\c1=N/C(=O)c1cc(ccc1OC[C@H](C)O)C(F)(F)F
Show InChI InChI=1S/C21H22F3N3O3S/c1-3-4-9-27-16-11-25-8-7-18(16)31-20(27)26-19(29)15-10-14(21(22,23)24)5-6-17(15)30-12-13(2)28/h5-8,10-11,13,28H,3-4,9,12H2,1-2H3/b26-20-/t13-/m0/s1
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2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17713
PNG
(2-aminobenzoxazole, 38 | 7-chloro-N-{4-chloro-3-[(...)
Show SMILES CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc56)cc(Cl)c4o3)ccc2Cl)CC1
Show InChI InChI=1S/C28H25Cl2N5O2/c1-34-10-12-35(13-11-34)17-18-14-19(6-7-22(18)29)32-28-33-25-16-20(15-23(30)27(25)37-28)36-26-8-9-31-24-5-3-2-4-21(24)26/h2-9,14-16H,10-13,17H2,1H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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2n/an/an/an/an/an/an/an/a



The Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3...


Bioorg Med Chem Lett 18: 2809-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.007
BindingDB Entry DOI: 10.7270/Q2ST7QR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17688
PNG
(2-aminobenzimidazole, 13 | N-{4-chloro-3-[(4-methy...)
Show SMILES CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6ccccc56)cc4[nH]3)ccc2Cl)CC1
Show InChI InChI=1S/C28H27ClN6O/c1-34-12-14-35(15-13-34)18-19-16-20(6-8-23(19)29)31-28-32-25-9-7-21(17-26(25)33-28)36-27-10-11-30-24-5-3-2-4-22(24)27/h2-11,16-17H,12-15,18H2,1H3,(H2,31,32,33)
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2 -49.2n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17684
PNG
(2-aminobenzimidazole, 9 | N-methyl-4-({2-[(3-{[(2R...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(c(OC[C@H]5CCCN5C)c4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C27H27F3N6O3/c1-31-25(37)23-14-19(9-10-32-23)39-18-6-8-21-22(13-18)35-26(34-21)33-16-5-7-20(27(28,29)30)24(12-16)38-15-17-4-3-11-36(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,31,37)(H2,33,34,35)/t17-/m1/s1
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2 -49.2n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12558
PNG
(6-chloro-N-methyl-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(p...)
Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H28ClN3O4S/c1-16(22(28)26-11-4-3-5-12-26)27-13-10-21(23(27)29)25(2)32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20/h6-9,14-16,21H,3-5,10-13H2,1-2H3/t16-,21-/m0/s1
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2 -49.7n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12567
PNG
(2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...)
Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H26ClN3O7S/c1-15(22(30)25-8-10-34-11-9-25)26-7-6-20(23(26)31)27(14-21(28)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H,28,29)/t15-,20-/m0/s1
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2 -49.7n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139905
PNG
(US8895592, 36)
Show SMILES CCCCn1c2cccnc2sc1=NC(=O)c1cc(ccc1OC[C@H](C)O)C(F)(F)F
Show InChI InChI=1S/C21H22F3N3O3S/c1-3-4-10-27-16-6-5-9-25-19(16)31-20(27)26-18(29)15-11-14(21(22,23)24)7-8-17(15)30-12-13(2)28/h5-9,11,13,28H,3-4,10,12H2,1-2H3/b26-20-/t13-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139907
PNG
(US8895592, 38)
Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C25H28F3N5O2S/c1-5-6-13-33-15-20(24(2,3)4)36-23(33)30-22(35)18-14-17(25(26,27)28)7-8-19(18)31-32-21(34)16-9-11-29-12-10-16/h7-12,14-15,31H,5-6,13H2,1-4H3,(H,32,34)/b30-23-
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2.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139878
PNG
(US8895592, 8)
Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCC1CCOC1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C24H31F3N2O3S/c1-15(2)11-29-12-20(23(3,4)5)33-22(29)28-21(30)18-10-17(24(25,26)27)6-7-19(18)32-14-16-8-9-31-13-16/h6-7,10,12,15-16H,8-9,11,13-14H2,1-5H3/b28-22-
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2.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM139896
PNG
(US8895592, 26)
Show SMILES CC(C)(O)COc1ccc(cc1C(=O)\N=c1/sc2ccncc2n1CC1CCC1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O3S/c1-22(2,31)13-32-18-7-6-15(23(24,25)26)10-16(18)20(30)28-21-29(12-14-4-3-5-14)17-11-27-9-8-19(17)33-21/h6-11,14,31H,3-5,12-13H2,1-2H3/b28-21-
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2.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM139899
PNG
(US8895592, 29)
Show SMILES CCCCn1c2cnccc2s\c1=N/C(=O)c1cc(ccc1OC[C@H](C)O)C(F)(F)F
Show InChI InChI=1S/C21H22F3N3O3S/c1-3-4-9-27-16-11-25-8-7-18(16)31-20(27)26-19(29)15-10-14(21(22,23)24)5-6-17(15)30-12-13(2)28/h5-8,10-11,13,28H,3-4,9,12H2,1-2H3/b26-20-/t13-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...


US Patent US8895592 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GDB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17697
PNG
(2-aminobenzoxazole, 22 | 4-({2-[(4-chloro-3-{[(2S)...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1
Show InChI InChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(9-10-29-22)35-18-6-8-23-21(13-18)31-26(36-23)30-16-5-7-20(27)24(12-16)34-15-17-4-3-11-32(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,28,33)(H,30,31)/t17-/m0/s1
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2.80 -48.3 4.60n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17701
PNG
(2-aminobenzoxazole, 26 | 4-[(2-{[4-chloro-3-(piper...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCC5CCNCC5)c4)nc3c2)ccn1
Show InChI InChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(8-11-30-22)35-18-3-5-23-21(13-18)32-26(36-23)31-17-2-4-20(27)24(12-17)34-15-16-6-9-29-10-7-16/h2-5,8,11-14,16,29H,6-7,9-10,15H2,1H3,(H,28,33)(H,31,32)
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3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17711
PNG
(2-aminobenzoxazole, 36 | 4-({2-[(4-chloro-3-{[(2S)...)
Show SMILES CNC(=O)c1cc(Oc2cc(F)c3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1
Show InChI InChI=1S/C26H25ClFN5O4/c1-29-25(34)22-12-17(7-8-30-22)36-18-11-20(28)24-21(13-18)32-26(37-24)31-15-5-6-19(27)23(10-15)35-14-16-4-3-9-33(16)2/h5-8,10-13,16H,3-4,9,14H2,1-2H3,(H,29,34)(H,31,32)/t16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17702
PNG
(2-aminobenzoxazole, 27 | 4-({2-[(4-chloro-3-{[(2S)...)
Show SMILES CN1CCC[C@H]1COc1cc(Nc2nc3cc(Oc4ccnc(c4)C(N)=O)ccc3o2)ccc1Cl
Show InChI InChI=1S/C25H24ClN5O4/c1-31-10-2-3-16(31)14-33-23-11-15(4-6-19(23)26)29-25-30-20-12-17(5-7-22(20)35-25)34-18-8-9-28-21(13-18)24(27)32/h4-9,11-13,16H,2-3,10,14H2,1H3,(H2,27,32)(H,29,30)/t16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM17691
PNG
(2-aminobenzimidazole, 16 | N-{4-chloro-3-[(4-methy...)
Show SMILES CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6[nH]ccc56)cc4[nH]3)ccc2Cl)CC1
Show InChI InChI=1S/C26H26ClN7O/c1-33-10-12-34(13-11-33)16-17-14-18(2-4-21(17)27)30-26-31-22-5-3-19(15-23(22)32-26)35-24-7-9-29-25-20(24)6-8-28-25/h2-9,14-15H,10-13,16H2,1H3,(H,28,29)(H2,30,31,32)
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3 -48.2n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair
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