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Compile Data Set for Download or QSAR

Found 538 hits with Last Name = 'mao' and Initial = 'y'   
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227831
PNG
(CHEMBL52242)
Show SMILES COc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1
Show InChI InChI=1/C20H27NO3/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3/h4-10,13,18,22H,11-12,14-15H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227791
PNG
(CHEMBL53815)
Show SMILES CN(C)CCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C19H25NO/c1-20(2)15-8-16-21-19-12-7-6-11-18(19)14-13-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3
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4.60n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227978
PNG
(CHEMBL53316)
Show SMILES CN(C)CCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C18H23NO/c1-19(2)14-15-20-18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50228190
PNG
(CHEMBL54263)
Show SMILES CN(C)CCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C20H27NO/c1-21(2)16-8-9-17-22-20-13-7-6-12-19(20)15-14-18-10-4-3-5-11-18/h3-7,10-13H,8-9,14-17H2,1-2H3
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9.80n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227787
PNG
(CHEMBL1743933)
Show SMILES Cl.COc1cccc(CCc2ccccc2OCCCCN(C)C)c1
Show InChI InChI=1S/C21H29NO2.ClH/c1-22(2)15-6-7-16-24-21-12-5-4-10-19(21)14-13-18-9-8-11-20(17-18)23-3;/h4-5,8-12,17H,6-7,13-16H2,1-3H3;1H
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13n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227837
PNG
(CHEMBL52131)
Show SMILES CN(C)CC(O)COc1ccccc1CCc1ccccc1
Show InChI InChI=1/C19H25NO2/c1-20(2)14-18(21)15-22-19-11-7-6-10-17(19)13-12-16-8-4-3-5-9-16/h3-11,18,21H,12-15H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50093789
PNG
(CHEMBL541829 | Succinic acid mono-(2-dimethylamino...)
Show SMILES COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(O)=O)c1
Show InChI InChI=1/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)
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18n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227788
PNG
(CHEMBL1743936)
Show SMILES Cl.CN(C)CCCOc1ccccc1CCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H30N2O.ClH/c1-22(2)16-7-17-24-21-9-6-5-8-19(21)13-10-18-11-14-20(15-12-18)23(3)4;/h5-6,8-9,11-12,14-15H,7,10,13,16-17H2,1-4H3;1H
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23n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227974
PNG
(CHEMBL298554)
Show SMILES CN(C)CCCOc1ccc(Cl)cc1CCc1ccccc1
Show InChI InChI=1S/C19H24ClNO/c1-21(2)13-6-14-22-19-12-11-18(20)15-17(19)10-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227976
PNG
(CHEMBL299389)
Show SMILES CN(C)CCCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C21H29NO/c1-22(2)17-9-4-10-18-23-21-14-8-7-13-20(21)16-15-19-11-5-3-6-12-19/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227653
PNG
(CHEMBL299207)
Show SMILES CN(C)CC(COc1ccccc1CCc1cccc(F)c1)OC(=O)CCC(O)=O
Show InChI InChI=1/C23H28FNO5/c1-25(2)15-20(30-23(28)13-12-22(26)27)16-29-21-9-4-3-7-18(21)11-10-17-6-5-8-19(24)14-17/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,26,27)
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41n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227977
PNG
(CHEMBL300631)
Show SMILES CCCCN(C)CCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C23H33NO/c1-3-4-18-24(2)19-10-11-20-25-23-15-9-8-14-22(23)17-16-21-12-6-5-7-13-21/h5-9,12-15H,3-4,10-11,16-20H2,1-2H3
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68n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227790
PNG
(CHEMBL53344)
Show SMILES CNCCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C19H25NO/c1-20-15-7-8-16-21-19-12-6-5-11-18(19)14-13-17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3
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71n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227789
PNG
(CHEMBL412653)
Show SMILES CN(C)CCCCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C22H31NO/c1-23(2)18-10-3-4-11-19-24-22-15-9-8-14-21(22)17-16-20-12-6-5-7-13-20/h5-9,12-15H,3-4,10-11,16-19H2,1-2H3
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75n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227832
PNG
(CHEMBL54101)
Show SMILES CN(CCCCOc1ccccc1CCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C26H31NO/c1-27(22-24-14-6-3-7-15-24)20-10-11-21-28-26-17-9-8-16-25(26)19-18-23-12-4-2-5-13-23/h2-9,12-17H,10-11,18-22H2,1H3
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198n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50228189
PNG
(CHEMBL52710)
Show SMILES CN(C)CCCCOc1ccc(CCc2ccccc2)cc1
Show InChI InChI=1S/C20H27NO/c1-21(2)16-6-7-17-22-20-14-12-19(13-15-20)11-10-18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3
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416n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50228052
PNG
(CHEMBL52982)
Show SMILES CN(C)CCCCOc1cccc(CCc2ccccc2)c1
Show InChI InChI=1S/C20H27NO/c1-21(2)15-6-7-16-22-20-12-8-11-19(17-20)14-13-18-9-4-3-5-10-18/h3-5,8-12,17H,6-7,13-16H2,1-2H3
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517n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


Article DOI: 10.1021/jm00168a043
BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50369380
PNG
(CHEMBL606502)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](C=C(Br)Br)[C@@H](O)[C@H]1O
Show InChI InChI=1/C11H11Br2N5O3/c12-5(13)1-4-7(19)8(20)11(21-4)18-3-17-6-9(14)15-2-16-10(6)18/h1-4,7-8,11,19-20H,(H2,14,15,16)/t4-,7-,8-,11?/s2
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3.10E+3n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
The kinetic constant for inhibition of S-adenosyl-homocysteine hydrolase by the compound


J Med Chem 41: 3078-83 (1998)


Article DOI: 10.1021/jm9801410
BindingDB Entry DOI: 10.7270/Q2MC90PC
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50369381
PNG
(CHEMBL612194)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(\Br)=C/Br
Show InChI InChI=1/C11H11Br2N5O3/c12-1-4(13)8-6(19)7(20)11(21-8)18-3-17-5-9(14)15-2-16-10(5)18/h1-3,6-8,11,19-20H,(H2,14,15,16)/b4-1+/t6-,7+,8+,11?/s2
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3.60E+3n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
The kinetic constant for inhibition of S-adenosyl-homocysteine hydrolase by the compound


J Med Chem 41: 3078-83 (1998)


Article DOI: 10.1021/jm9801410
BindingDB Entry DOI: 10.7270/Q2MC90PC
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50369379
PNG
(CHEMBL607755)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](\C=C(\F)Br)[C@@H](O)[C@H]1O
Show InChI InChI=1/C11H11BrFN5O3/c12-5(13)1-4-7(19)8(20)11(21-4)18-3-17-6-9(14)15-2-16-10(6)18/h1-4,7-8,11,19-20H,(H2,14,15,16)/b5-1+/t4-,7-,8-,11?/s2
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3.90E+3n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
The kinetic constant for inhibition of S-adenosyl-homocysteine hydrolase by the compound


J Med Chem 41: 3078-83 (1998)


Article DOI: 10.1021/jm9801410
BindingDB Entry DOI: 10.7270/Q2MC90PC
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242005
PNG
(CHEMBL4104884)
Show SMILES CC(c1c(F)cc2ncc(cc2c1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1/C26H18F3N9O/c1-12(22-19(28)7-20-17(23(22)29)5-14(8-31-20)15-9-33-37(2)11-15)38-26-25(35-36-38)32-10-21(34-26)13-3-4-16(24(30)39)18(27)6-13/h3-12H,1-2H3,(H2,30,39)
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n/an/a 0.300n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242000
PNG
(CHEMBL4061378)
Show SMILES CC(c1ccc2ncc(cc2c1)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1ccncc1
Show InChI InChI=1/C24H19N9/c1-15(33-24-23(30-31-33)27-13-22(29-24)16-5-7-25-8-6-16)17-3-4-21-18(9-17)10-19(11-26-21)20-12-28-32(2)14-20/h3-15H,1-2H3
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242011
PNG
(CHEMBL4070258)
Show SMILES CC(c1c(F)cc2ncc(cc2c1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1
Show InChI InChI=1/C24H20F2N10O/c1-13(36-24-23(32-33-36)28-10-20(31-24)16-9-30-35(12-16)3-4-37)21-18(25)6-19-17(22(21)26)5-14(7-27-19)15-8-29-34(2)11-15/h5-13,37H,3-4H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50146167
PNG
(CAPMATINIB | Capmatinib | INC-280 | INCB-28060 | N...)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1
Show InChI InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)
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n/an/a 0.400n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242021
PNG
(CHEMBL4097173)
Show SMILES CC(c1c(F)cc2ncc(cc2c1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(C)c1
Show InChI InChI=1/C23H18F2N10/c1-12(35-23-22(31-32-35)27-9-19(30-23)15-8-29-34(3)11-15)20-17(24)5-18-16(21(20)25)4-13(6-26-18)14-7-28-33(2)10-14/h4-12H,1-3H3
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50241992
PNG
(CHEMBL4074262)
Show SMILES CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1
Show InChI InChI=1/C24H21FN10O/c1-14(19-6-15-5-16(17-9-28-33(2)12-17)8-26-21(15)7-20(19)25)35-24-23(31-32-35)27-11-22(30-24)18-10-29-34(13-18)3-4-36/h5-14,36H,3-4H2,1-2H3
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n/an/a 0.480n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50241998
PNG
(CHEMBL4064183)
Show SMILES CC(c1ccc2ncc(cc2c1)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1
Show InChI InChI=1/C24H22N10O/c1-15(16-3-4-21-17(7-16)8-18(9-25-21)19-10-27-32(2)13-19)34-24-23(30-31-34)26-12-22(29-24)20-11-28-33(14-20)5-6-35/h3-4,7-15,35H,5-6H2,1-2H3
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242020
PNG
(CHEMBL4091023)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cnc2nnn(C(C)c3ccc4ncc(cc4c3)-c3cnn(C)c3)c2n1
Show InChI InChI=1/C27H22FN9O/c1-15(16-5-7-23-18(8-16)9-19(11-30-23)20-12-32-36(3)14-20)37-26-25(34-35-37)31-13-24(33-26)17-4-6-21(22(28)10-17)27(38)29-2/h4-15H,1-3H3,(H,29,38)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242018
PNG
(CHEMBL4073110)
Show SMILES CC(c1ccc2ncc(cc2c1)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(C)c1
Show InChI InChI=1/C23H20N10/c1-14(33-23-22(29-30-33)25-11-21(28-23)19-10-27-32(3)13-19)15-4-5-20-16(6-15)7-17(8-24-20)18-9-26-31(2)12-18/h4-14H,1-3H3
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242007
PNG
(CHEMBL4076438)
Show SMILES CC(c1c(F)cc2ncc(cc2c1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1ccncc1
Show InChI InChI=1/C24H17F2N9/c1-13(35-24-23(32-33-35)29-11-20(31-24)14-3-5-27-6-4-14)21-18(25)8-19-17(22(21)26)7-15(9-28-19)16-10-30-34(2)12-16/h3-13H,1-2H3
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242002
PNG
(CHEMBL4060354)
Show SMILES CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1/C26H19F2N9O/c1-13(19-6-15-5-16(17-10-32-36(2)12-17)9-30-22(15)8-21(19)28)37-26-25(34-35-37)31-11-23(33-26)14-3-4-18(24(29)38)20(27)7-14/h3-13H,1-2H3,(H2,29,38)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50241992
PNG
(CHEMBL4074262)
Show SMILES CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1
Show InChI InChI=1/C24H21FN10O/c1-14(19-6-15-5-16(17-9-28-33(2)12-17)8-26-21(15)7-20(19)25)35-24-23(31-32-35)27-11-22(30-24)18-10-29-34(13-18)3-4-36/h5-14,36H,3-4H2,1-2H3
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50241992
PNG
(CHEMBL4074262)
Show SMILES CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1
Show InChI InChI=1/C24H21FN10O/c1-14(19-6-15-5-16(17-9-28-33(2)12-17)8-26-21(15)7-20(19)25)35-24-23(31-32-35)27-11-22(30-24)18-10-29-34(13-18)3-4-36/h5-14,36H,3-4H2,1-2H3
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n/an/a 0.680n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242001
PNG
(CHEMBL4083235)
Show SMILES CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(C)c1
Show InChI InChI=1/C23H19FN10/c1-13(34-23-22(30-31-34)26-10-21(29-23)17-9-28-33(3)12-17)18-5-14-4-15(16-8-27-32(2)11-16)7-25-20(14)6-19(18)24/h4-13H,1-3H3
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242004
PNG
(CHEMBL4068290)
Show SMILES CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1ccncc1
Show InChI InChI=1/C24H18FN9/c1-14(34-24-23(31-32-34)28-12-22(30-24)15-3-5-26-6-4-15)19-8-16-7-17(18-11-29-33(2)13-18)10-27-21(16)9-20(19)25/h3-14H,1-2H3
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50241999
PNG
(CHEMBL4070051)
Show SMILES CC(c1ccc2ncc(cc2c1)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1/C26H20FN9O/c1-14(15-4-6-22-17(7-15)8-18(10-29-22)19-11-31-35(2)13-19)36-26-25(33-34-36)30-12-23(32-26)16-3-5-20(24(28)37)21(27)9-16/h3-14H,1-2H3,(H2,28,37)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242006
PNG
(CHEMBL4075149)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cnc2nnn(C(C)c3c(F)cc4ncc(cc4c3F)-c3cnn(C)c3)c2n1
Show InChI InChI=1/C27H20F3N9O/c1-13(23-20(29)8-21-18(24(23)30)6-15(9-32-21)16-10-34-38(3)12-16)39-26-25(36-37-39)33-11-22(35-26)14-4-5-17(19(28)7-14)27(40)31-2/h4-13H,1-3H3,(H,31,40)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242003
PNG
(CHEMBL4092293)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cnc2nnn(C(C)c3cc4cc(cnc4cc3F)-c3cnn(C)c3)c2n1
Show InChI InChI=1/C27H21F2N9O/c1-14(20-7-16-6-17(18-11-33-37(3)13-18)10-31-23(16)9-22(20)29)38-26-25(35-36-38)32-12-24(34-26)15-4-5-19(21(28)8-15)27(39)30-2/h4-14H,1-3H3,(H,30,39)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50241996
PNG
(CHEMBL4093803)
Show SMILES CC(c1ccc2ncc(cc2c1)-c1ccc(F)cc1)n1nnc2ncc(nc12)-c1cnn(C)c1
Show InChI InChI=1/C25H19FN8/c1-15(34-25-24(31-32-34)28-13-23(30-25)20-12-29-33(2)14-20)17-5-8-22-18(9-17)10-19(11-27-22)16-3-6-21(26)7-4-16/h3-15H,1-2H3
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50102928
PNG
(5-(3-Bromo-phenyl)-7-(6-thiomorpholin-4-yl-pyridin...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCSCC1
Show InChI InChI=1S/C22H19BrN6S/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50102925
PNG
(5-(3-Bromo-phenyl)-7-[6-(1,4-dioxa-8-aza-spiro[4.5...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C25H23BrN6O2/c26-18-3-1-2-16(12-18)19-13-20(31-24-22(19)23(27)29-15-30-24)17-4-5-21(28-14-17)32-8-6-25(7-9-32)33-10-11-34-25/h1-5,12-15H,6-11H2,(H2,27,29,30,31)
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242012
PNG
(CHEMBL4094716)
Show SMILES CC(c1cc2cc(cnc2cc1F)-c1ccc(F)cc1)n1nnc2ncc(nc12)-c1cnn(C)c1
Show InChI InChI=1/C25H18F2N8/c1-14(35-25-24(32-33-35)29-12-23(31-25)18-11-30-34(2)13-18)20-8-16-7-17(10-28-22(16)9-21(20)27)15-3-5-19(26)6-4-15/h3-14H,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242008
PNG
(CHEMBL4078192)
Show SMILES CC(c1cc2cc(cnc2cc1F)-c1ccc(F)cc1)n1nnc2ncc(nc12)-c1ccncc1
Show InChI InChI=1/C26H17F2N7/c1-15(35-26-25(33-34-35)31-14-24(32-26)17-6-8-29-9-7-17)21-11-18-10-19(13-30-23(18)12-22(21)28)16-2-4-20(27)5-3-16/h2-15H,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50102927
PNG
(5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1
Show InChI InChI=1S/C23H21BrN6O/c24-16-3-1-2-14(10-16)18-11-19(29-23-21(18)22(25)27-13-28-23)15-4-5-20(26-12-15)30-8-6-17(31)7-9-30/h1-5,10-13,17,31H,6-9H2,(H2,25,27,28,29)
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/s2
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transcriptional repression in CV-1 cells expressing glucocorticoid receptor


Bioorg Med Chem Lett 14: 1721-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.044
BindingDB Entry DOI: 10.7270/Q2KP81M9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50242019
PNG
(CHEMBL4072776)
Show SMILES CC(c1ccc2ncc(cc2c1)-c1ccc(F)cc1)n1nnc2ncc(nc12)-c1ccncc1
Show InChI InChI=1/C26H18FN7/c1-16(34-26-25(32-33-34)30-15-24(31-26)18-8-10-28-11-9-18)19-4-7-23-20(12-19)13-21(14-29-23)17-2-5-22(27)6-3-17/h2-16H,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50132280
PNG
(5-(3-Bromo-phenyl)-7-{6-[4-(tetrahydro-pyran-4-ylo...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC(COC2CCOCC2)CC1
Show InChI InChI=1S/C28H30BrN7O2/c29-20-3-1-2-19(14-20)22-15-24(33-28-26(22)27(30)31-17-32-28)23-4-5-25(35-34-23)36-10-6-18(7-11-36)16-38-21-8-12-37-13-9-21/h1-5,14-15,17-18,21H,6-13,16H2,(H2,30,31,32,33)
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n/an/a 2.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against adenosine kinase was determined


Bioorg Med Chem Lett 13: 3041-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00642-5
BindingDB Entry DOI: 10.7270/Q2JH3KJ3
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50102924
PNG
(5-(3-Bromo-phenyl)-7-(6-pyrrolidin-1-yl-pyridin-3-...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCCC1
Show InChI InChI=1S/C22H19BrN6/c23-16-5-3-4-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-6-7-19(25-12-15)29-8-1-2-9-29/h3-7,10-13H,1-2,8-9H2,(H2,24,26,27,28)
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n/an/a 3.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50241997
PNG
(CHEMBL4099662)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cnc2nnn(C(C)c3ccc4ncc(cc4c3)-c3ccc(F)cc3)c2n1
Show InChI InChI=1/C29H21F2N7O/c1-16(18-6-10-25-20(11-18)12-21(14-33-25)17-3-7-22(30)8-4-17)38-28-27(36-37-38)34-15-26(35-28)19-5-9-23(24(31)13-19)29(39)32-2/h3-16H,1-2H3,(H,32,39)
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n/an/a 3.5n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured a...


Eur J Med Chem 134: 147-158 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.085
BindingDB Entry DOI: 10.7270/Q2CF9S81
More data for this
Ligand-Target Pair
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