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Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'pan' and Initial = 'bs'   
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
Stimulator of interferon genes protein


(Human)
BDBM50604556
PNG
(CHEMBL5175703)
Show SMILES N.N.[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@H](F)[C@@H](O[C@]3([H])COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347672
PNG
(CHEMBL1802904)
Show SMILES CCN1CCC(CC1)n1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N(C)C)cc3c(=O)c2c1
Show InChI InChI=1S/C26H30N6O3S/c1-4-31-11-9-22(10-12-31)32-17-20(16-28-32)19-13-24-25(27-15-19)8-6-18-5-7-21(14-23(18)26(24)33)29-36(34,35)30(2)3/h5-8,13-17,22,29H,4,9-12H2,1-3H3
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50509399
PNG
(CHEMBL4468010)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2F)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H22F2N10O11P2/c21-8-6-1-38-44(34,35)42-12-7(41-18(9(12)22)31-4-27-10-14(23)25-3-26-15(10)31)2-39-45(36,37)43-13(8)19(40-6)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9-,12-,13-,18-,19-/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347697
PNG
(CHEMBL1802603)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(N)cc3c(=O)c2c1
Show InChI InChI=1S/C18H14N4O/c1-22-10-13(9-21-22)12-6-16-17(20-8-12)5-3-11-2-4-14(19)7-15(11)18(16)23/h2-10H,19H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50509421
PNG
(CHEMBL4577528)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C20H23FN10O12P2/c21-8-12-7(41-18(8)30-4-26-9-14(22)24-3-25-15(9)30)2-39-45(36,37)43-13-11(32)6(1-38-44(34,35)42-12)40-19(13)31-5-27-10-16(31)28-20(23)29-17(10)33/h3-8,11-13,18-19,32H,1-2H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,28,29,33)/t6-,7-,8-,11-,12-,13-,18-,19-/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427143
PNG
(CHEMBL2323783)
Show SMILES O=c1c2cc(CS(=O)(=O)NCc3ccccn3)ccc2ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C29H28N6O3S/c36-29-26-13-20(19-39(37,38)34-17-24-3-1-2-10-31-24)4-5-21(26)6-7-28-27(29)14-22(15-32-28)23-16-33-35(18-23)25-8-11-30-12-9-25/h1-7,10,13-16,18,25,30,34H,8-9,11-12,17,19H2
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427155
PNG
(CHEMBL2323770)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cccnn4)cc3c(=O)c2c1
Show InChI InChI=1S/C24H20N6O3S/c1-30-14-19(12-27-30)18-10-22-23(25-11-18)7-6-17-5-4-16(9-21(17)24(22)31)15-34(32,33)28-13-20-3-2-8-26-29-20/h2-12,14,28H,13,15H2,1H3
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347675
PNG
(CHEMBL1802835)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(CC(F)CO)c1
Show InChI InChI=1S/C22H22FN5O4S/c1-27(2)33(31,32)26-18-5-3-14-4-6-21-20(22(30)19(14)8-18)7-15(9-24-21)16-10-25-28(11-16)12-17(23)13-29/h3-11,17,26,29H,12-13H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM573971
PNG
(US11453697, Example 247)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](CO[P@](S)(=O)O[C@@H]1[C@@H]2F)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50509408
PNG
(CHEMBL4459563)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H23FN10O11P2/c21-11-9-3-38-43(33,34)41-7-1-10(30-5-26-12-15(22)24-4-25-16(12)30)39-8(7)2-37-44(35,36)42-14(11)19(40-9)31-6-27-13-17(31)28-20(23)29-18(13)32/h4-11,14,19H,1-3H2,(H,33,34)(H,35,36)(H2,22,24,25)(H3,23,28,29,32)/t7-,8+,9+,10+,11+,14+,19+/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM573856
PNG
(US11453697, Example 20)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3[C@H]4OC[C@]3(COP(O)(=O)O[C@@H]1[C@@H]2F)O[C@H]4n1cnc2c(N)ncnc12 |r,TLB:19:20:35.34:23.22|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50509422
PNG
(CHEMBL4476079)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H]2C[C@H]1OP(O)(=O)OC[C@H]1O[C@H]([C@H](F)[C@@H]1OP(O)(=O)OC2)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H23FN10O11P2/c21-10-13-9(40-19(10)30-5-26-11-14(22)24-4-25-15(11)30)3-38-43(33,34)41-8-1-7(2-37-44(35,36)42-13)39-18(8)31-6-27-12-16(31)28-20(23)29-17(12)32/h4-10,13,18-19H,1-3H2,(H,33,34)(H,35,36)(H2,22,24,25)(H3,23,28,29,32)/t7-,8+,9+,10+,13+,18+,19+/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50509431
PNG
(CHEMBL4589856)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2F)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H23FN10O12P2/c21-8-6-1-38-44(34,35)42-12-7(41-18(11(12)32)30-4-26-9-14(22)24-3-25-15(9)30)2-39-45(36,37)43-13(8)19(40-6)31-5-27-10-16(31)28-20(23)29-17(10)33/h3-8,11-13,18-19,32H,1-2H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,28,29,33)/t6-,7-,8-,11-,12-,13-,18-,19-/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50604561
PNG
(CHEMBL5197904)
Show SMILES N.N.[H][C@@]12CO[P@](S)(=O)O[C@@]3([H])C[C@@H](O[C@]3([H])CO[P@](S)(=O)O[C@]([H])([C@@H]1F)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50506263
PNG
(CHEMBL4465054 | US11401295, Compound 2',3'-cGAMP)
Show SMILES [H][C@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]([H])([C@@H](O1)n1cnc3c1nc(N)[nH]c3=O)[C@@H]2O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50604563
PNG
(CHEMBL5201164)
Show SMILES N.N.[H][C@@]12CO[P@](S)(=O)O[C@@]3([H])[C@@]4([H])OC[C@]3(CO[P@](S)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]4n1cnc2c(N)ncnc12 |r,TLB:9:10:40.41:14.15|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347667
PNG
(CHEMBL1802909)
Show SMILES CN(Cc1cnccn1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H21N7O3S/c1-30-14-18(12-28-30)17-9-22-23(27-11-17)6-4-16-3-5-19(10-21(16)24(22)32)29-35(33,34)31(2)15-20-13-25-7-8-26-20/h3-14,29H,15H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427172
PNG
(CHEMBL2323777)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cccc[n+]4[O-])cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O4S/c1-29-15-20(13-27-29)19-11-23-24(26-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-35(33,34)28-14-21-4-2-3-9-30(21)32/h2-13,15,28H,14,16H2,1H3
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347659
PNG
(CHEMBL1802916 | MK-2461)
Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347669
PNG
(CHEMBL1802907)
Show SMILES CNS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C19H17N5O3S/c1-20-28(26,27)23-15-5-3-12-4-6-18-17(19(25)16(12)8-15)7-13(9-21-18)14-10-22-24(2)11-14/h3-11,20,23H,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347673
PNG
(CHEMBL1802903)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(CC(F)CN2CCCC2)c1
Show InChI InChI=1S/C26H29FN6O3S/c1-31(2)37(35,36)30-22-7-5-18-6-8-25-24(26(34)23(18)12-22)11-19(13-28-25)20-14-29-33(15-20)17-21(27)16-32-9-3-4-10-32/h5-8,11-15,21,30H,3-4,9-10,16-17H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50604560
PNG
(CHEMBL5180005)
Show SMILES N.N.[H][C@]12C[C@@]([H])(O[P@@](S)(=O)OC[C@@]3([H])O[C@H]([C@H](O)[C@]3([H])O[P@@](S)(=O)OC1)n1cnc3c(N)ncnc13)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347680
PNG
(CHEMBL1802830)
Show SMILES CCCn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N(C)C)cc3c(=O)c2c1
Show InChI InChI=1S/C22H23N5O3S/c1-4-9-27-14-17(13-24-27)16-10-20-21(23-12-16)8-6-15-5-7-18(11-19(15)22(20)28)25-31(29,30)26(2)3/h5-8,10-14,25H,4,9H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347659
PNG
(CHEMBL1802916 | MK-2461)
Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347661
PNG
(CHEMBL1802914)
Show SMILES CN([C@H]1CCOC1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C23H23N5O4S/c1-27-13-17(12-25-27)16-9-21-22(24-11-16)6-4-15-3-5-18(10-20(15)23(21)29)26-33(30,31)28(2)19-7-8-32-14-19/h3-6,9-13,19,26H,7-8,14H2,1-2H3/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347679
PNG
(CHEMBL1802831)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(CC(=O)N2CCOCC2)c1
Show InChI InChI=1S/C25H26N6O5S/c1-29(2)37(34,35)28-20-5-3-17-4-6-23-22(25(33)21(17)12-20)11-18(13-26-23)19-14-27-31(15-19)16-24(32)30-7-9-36-10-8-30/h3-6,11-15,28H,7-10,16H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347658
PNG
(CHEMBL1802917)
Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(c1)C1CCNCC1 |r|
Show InChI InChI=1S/C28H32N6O5S/c1-33(17-24-18-38-10-11-39-24)40(36,37)32-22-4-2-19-3-5-27-26(28(35)25(19)13-22)12-20(14-30-27)21-15-31-34(16-21)23-6-8-29-9-7-23/h2-5,12-16,23-24,29,32H,6-11,17-18H2,1H3/t24-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stimulator of interferon genes protein


(Human)
BDBM50604555
PNG
(CHEMBL5181746)
Show SMILES N.N.[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@]4([H])OC[C@]3(COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]4n1cnc2c(N)ncnc12 |r,TLB:9:10:40.41:14.15|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427151
PNG
(CHEMBL2323774)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccncc4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-21(14-28-30)20-11-23-24(27-13-20)5-4-19-3-2-18(10-22(19)25(23)31)16-34(32,33)29-12-17-6-8-26-9-7-17/h2-11,13-15,29H,12,16H2,1H3
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347677
PNG
(CHEMBL1802833)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(CCCO)c1
Show InChI InChI=1S/C22H23N5O4S/c1-26(2)32(30,31)25-18-6-4-15-5-7-21-20(22(29)19(15)11-18)10-16(12-23-21)17-13-24-27(14-17)8-3-9-28/h4-7,10-14,25,28H,3,8-9H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427154
PNG
(CHEMBL2323771)
Show SMILES Cc1nccc(CNS(=O)(=O)Cc2ccc3ccc4ncc(cc4c(=O)c3c2)-c2cnn(C)c2)n1
Show InChI InChI=1S/C25H22N6O3S/c1-16-26-8-7-21(30-16)13-29-35(33,34)15-17-3-4-18-5-6-24-23(25(32)22(18)9-17)10-19(11-27-24)20-12-28-31(2)14-20/h3-12,14,29H,13,15H2,1-2H3
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347676
PNG
(CHEMBL1802834)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(CCF)c1
Show InChI InChI=1S/C21H20FN5O3S/c1-26(2)31(29,30)25-17-5-3-14-4-6-20-19(21(28)18(14)10-17)9-15(11-23-20)16-12-24-27(13-16)8-7-22/h3-6,9-13,25H,7-8H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427153
PNG
(CHEMBL2323772)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cnsc4)cc3c(=O)c2c1
Show InChI InChI=1S/C23H19N5O3S2/c1-28-12-19(11-25-28)18-7-21-22(24-10-18)5-4-17-3-2-15(6-20(17)23(21)29)14-33(30,31)27-9-16-8-26-32-13-16/h2-8,10-13,27H,9,14H2,1H3
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347662
PNG
(CHEMBL1802913)
Show SMILES COCCCN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N5O4S/c1-27-15-18(14-25-27)17-11-21-22(24-13-17)8-6-16-5-7-19(12-20(16)23(21)29)26-33(30,31)28(2)9-4-10-32-3/h5-8,11-15,26H,4,9-10H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347658
PNG
(CHEMBL1802917)
Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(c1)C1CCNCC1 |r|
Show InChI InChI=1S/C28H32N6O5S/c1-33(17-24-18-38-10-11-39-24)40(36,37)32-22-4-2-19-3-5-27-26(28(35)25(19)13-22)12-20(14-30-27)21-15-31-34(16-21)23-6-8-29-9-7-23/h2-5,12-16,23-24,29,32H,6-11,17-18H2,1H3/t24-/m1/s1
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347674
PNG
(CHEMBL1802836)
Show SMILES COCC(F)Cn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N(C)C)cc3c(=O)c2c1
Show InChI InChI=1S/C23H24FN5O4S/c1-28(2)34(31,32)27-19-6-4-15-5-7-22-21(23(30)20(15)9-19)8-16(10-25-22)17-11-26-29(12-17)13-18(24)14-33-3/h4-12,18,27H,13-14H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347670
PNG
(CHEMBL1802906)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(NS(N)(=O)=O)cc3c(=O)c2c1
Show InChI InChI=1S/C18H15N5O3S/c1-23-10-13(9-21-23)12-6-16-17(20-8-12)5-3-11-2-4-14(22-27(19,25)26)7-15(11)18(16)24/h2-10,22H,1H3,(H2,19,25,26)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50604562
PNG
(CHEMBL5185127)
Show SMILES N.N.[H][C@@]12CO[P@](S)(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])CO[P@](S)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 |r|
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n/an/a 3.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50509412
PNG
(CHEMBL4474321 | US11453697, Example 1)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H24N10O12P2/c21-15-11-16(24-4-23-15)29(5-25-11)10-1-7-8(39-10)2-37-44(35,36)42-14-13(31)9(3-38-43(33,34)41-7)40-19(14)30-6-26-12-17(30)27-20(22)28-18(12)32/h4-10,13-14,19,31H,1-3H2,(H,33,34)(H,35,36)(H2,21,23,24)(H3,22,27,28,32)/t7-,8+,9+,10+,13+,14+,19+/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50604559
PNG
(CHEMBL5174023)
Show SMILES N.N.[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@H](F)[C@@H](O[C@]3([H])COP(O)(=O)O[C@]([H])([C@@H]1F)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 |r|
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n/an/a 3.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347681
PNG
(CHEMBL1802829)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C20H19N5O3S/c1-24(2)29(27,28)23-16-6-4-13-5-7-19-18(20(26)17(13)9-16)8-14(10-21-19)15-11-22-25(3)12-15/h4-12,23H,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347678
PNG
(CHEMBL1802832)
Show SMILES CN(C)CCCn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N(C)C)cc3c(=O)c2c1
Show InChI InChI=1S/C24H28N6O3S/c1-28(2)10-5-11-30-16-19(15-26-30)18-12-22-23(25-14-18)9-7-17-6-8-20(13-21(17)24(22)31)27-34(32,33)29(3)4/h6-9,12-16,27H,5,10-11H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347681
PNG
(CHEMBL1802829)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C20H19N5O3S/c1-24(2)29(27,28)23-16-6-4-13-5-7-19-18(20(26)17(13)9-16)8-14(10-21-19)15-11-22-25(3)12-15/h4-12,23H,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347668
PNG
(CHEMBL1802908)
Show SMILES CCN(CC)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N5O3S/c1-4-27(5-2)31(29,30)25-18-8-6-15-7-9-21-20(22(28)19(15)11-18)10-16(12-23-21)17-13-24-26(3)14-17/h6-14,25H,4-5H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347686
PNG
(CHEMBL1802602)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(NS(C)(=O)=O)cc3c(=O)c2c1
Show InChI InChI=1S/C19H16N4O3S/c1-23-11-14(10-21-23)13-7-17-18(20-9-13)6-4-12-3-5-15(22-27(2,25)26)8-16(12)19(17)24/h3-11,22H,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM50604557
PNG
(CHEMBL5191008)
Show SMILES N.N.[H][C@]12C[C@@]([H])(OP(O)(=O)OC[C@@]34CO[C@@]([H])([C@@H](O3)n3cnc5c(N)ncnc35)[C@]4([H])OP(O)(=O)OC1)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O |r,TLB:32:30:14.15:18.19|
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n/an/a 4.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427156
PNG
(CHEMBL2323769)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccc4Cl)cc3c(=O)c2c1
Show InChI InChI=1S/C26H21ClN4O3S/c1-31-15-21(13-29-31)20-11-23-25(28-12-20)9-8-18-7-6-17(10-22(18)26(23)32)16-35(33,34)30-14-19-4-2-3-5-24(19)27/h2-13,15,30H,14,16H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347695
PNG
(CHEMBL1802605)
Show SMILES CNc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C19H16N4O/c1-20-15-5-3-12-4-6-18-17(19(24)16(12)8-15)7-13(9-21-18)14-10-22-23(2)11-14/h3-11,20H,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347663
PNG
(CHEMBL1802912)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N4CC(F)C4)cc3c(=O)c2c1
Show InChI InChI=1S/C21H18FN5O3S/c1-26-10-15(9-24-26)14-6-19-20(23-8-14)5-3-13-2-4-17(7-18(13)21(19)28)25-31(29,30)27-11-16(22)12-27/h2-10,16,25H,11-12H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
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