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Compile Data Set for Download or QSAR

Found 437 hits with Last Name = 'yamazaki' and Initial = 's'   
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-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
CHEMBL4080228
PNG
PDB

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<0.100n/an/an/an/an/an/an/an/a



WuXi AppTec

Curated by ChEMBL




J Med Chem 61: 650-665 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01375
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50193709
PNG
(CHEMBL3911017)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)|
Show InChI InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex using HeLa cells der...


J Med Chem 59: 8306-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396942
PNG
(CHEMBL2170818)
Show SMILES C(c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cn[nH]c1
Show InChI InChI=1S/C17H12N8/c1-2-12-6-11(3-4-14(12)18-5-1)10-25-17-16(23-24-25)19-9-15(22-17)13-7-20-21-8-13/h1-9H,10H2,(H,20,21)
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396976
PNG
(CHEMBL2170969)
Show SMILES C[C@H](C(=O)NN=C1C(=O)Nc2c1c(Cl)ccc2C)c1ccc(O)cc1 |r,w:5.4|
Show InChI InChI=1S/C18H16ClN3O3/c1-9-3-8-13(19)14-15(9)20-18(25)16(14)21-22-17(24)10(2)11-4-6-12(23)7-5-11/h3-8,10,23H,1-2H3,(H,22,24)(H,20,21,25)/t10-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440904
PNG
(CHEMBL2431834)
Show SMILES C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H16N8/c1-12(13-5-6-16-14(8-13)4-3-7-20-16)27-19-18(24-25-27)21-10-17(23-19)15-9-22-26(2)11-15/h3-12H,1-2H3/t12-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396954
PNG
(CHEMBL2170966)
Show SMILES CNc1snc(SCc2nnc3ncc(nn23)-c2ccc(F)cc2)c1C(N)=O
Show InChI InChI=1S/C16H13FN8OS2/c1-19-14-12(13(18)26)15(24-28-14)27-7-11-21-22-16-20-6-10(23-25(11)16)8-2-4-9(17)5-3-8/h2-6,19H,7H2,1H3,(H2,18,26)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50193663
PNG
(CHEMBL3929944)
Show SMILES Cc1noc(C)c1-c1ccc2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(62.09,-40.24,;61.77,-41.75,;62.8,-42.89,;62.03,-44.22,;60.52,-43.9,;59.38,-44.93,;60.36,-42.37,;59.02,-41.6,;57.69,-42.37,;56.37,-41.6,;56.38,-40.08,;55.05,-39.32,;55.05,-37.78,;56.38,-37,;56.38,-35.46,;55.04,-34.69,;55.05,-33.15,;56.38,-32.38,;53.72,-32.38,;52.38,-33.14,;51.05,-32.37,;52.38,-34.68,;53.71,-35.46,;53.71,-37,;57.7,-37.78,;59.04,-37.01,;57.7,-39.32,;59.02,-40.08,;60.35,-39.31,)|
Show InChI InChI=1S/C22H22ClN3O3/c1-11-9-12(2)24-21(27)17(11)10-26-8-7-15-5-6-16(20(23)19(15)22(26)28)18-13(3)25-29-14(18)4/h5-6,9H,7-8,10H2,1-4H3,(H,24,27)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex using HeLa cells der...


J Med Chem 59: 8306-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440905
PNG
(CHEMBL2431835)
Show SMILES C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1 |r|
Show InChI InChI=1S/C20H18N8O/c1-13(14-4-5-17-15(9-14)3-2-6-21-17)28-20-19(25-26-28)22-11-18(24-20)16-10-23-27(12-16)7-8-29/h2-6,9-13,29H,7-8H2,1H3/t13-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440879
PNG
(CHEMBL2431824)
Show SMILES COc1ccc(cc1C)-c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1 |r|
Show InChI InChI=1S/C24H21N5O/c1-15-13-19(7-10-22(15)30-3)21-9-11-23-26-27-24(29(23)28-21)16(2)17-6-8-20-18(14-17)5-4-12-25-20/h4-14,16H,1-3H3/t16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440893
PNG
(CHEMBL2431822)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1ccc(F)c(F)c1)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C22H15F2N5/c1-13(14-5-7-19-15(11-14)3-2-10-25-19)22-27-26-21-9-8-20(28-29(21)22)16-4-6-17(23)18(24)12-16/h2-13H,1H3/t13-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440899
PNG
(CHEMBL2431829)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1ccc2OCCOc2c1)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C24H19N5O2/c1-15(16-4-6-19-17(13-16)3-2-10-25-19)24-27-26-23-9-7-20(28-29(23)24)18-5-8-21-22(14-18)31-12-11-30-21/h2-10,13-15H,11-12H2,1H3/t15-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440894
PNG
(CHEMBL2431823)
Show SMILES COc1ccc(cc1F)-c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1 |r|
Show InChI InChI=1S/C23H18FN5O/c1-14(15-5-7-19-16(12-15)4-3-11-25-19)23-27-26-22-10-8-20(28-29(22)23)17-6-9-21(30-2)18(24)13-17/h3-14H,1-2H3/t14-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396952
PNG
(CHEMBL2170968)
Show SMILES N#Cc1ccc(cc1)-c1cnc2nnc(Cc3c[nH]c4ncccc34)n2n1
Show InChI InChI=1S/C19H12N8/c20-9-12-3-5-13(6-4-12)16-11-23-19-25-24-17(27(19)26-16)8-14-10-22-18-15(14)2-1-7-21-18/h1-7,10-11H,8H2,(H,21,22)
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440896
PNG
(CHEMBL2431826)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1cccc(c1)C#N)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H16N6/c1-15(17-7-8-20-19(13-17)6-3-11-25-20)23-27-26-22-10-9-21(28-29(22)23)18-5-2-4-16(12-18)14-24/h2-13,15H,1H3/t15-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396970
PNG
(CHEMBL2170954)
Show SMILES CCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C16H15N7/c1-2-17-14-9-19-15-16(20-14)23(22-21-15)10-11-5-6-13-12(8-11)4-3-7-18-13/h3-9H,2,10H2,1H3,(H,17,20)
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396947
PNG
(CHEMBL2169896)
Show SMILES Fc1ccc(cc1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C20H13FN6/c21-16-6-4-14(5-7-16)18-11-23-19-20(24-18)27(26-25-19)12-13-3-8-17-15(10-13)2-1-9-22-17/h1-11H,12H2
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4.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440895
PNG
(CHEMBL2431825)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1cccc(C)c1)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H19N5/c1-15-5-3-6-18(13-15)21-10-11-22-25-26-23(28(22)27-21)16(2)17-8-9-20-19(14-17)7-4-12-24-20/h3-14,16H,1-2H3/t16-/m0/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396934
PNG
(CHEMBL2001019 | CHEMBL2170804 | US9062045, Compara...)
Show SMILES OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396953
PNG
(CHEMBL2170967)
Show SMILES Fc1ccc(cc1)-c1cnc2nnc(Cc3ccc4ncccc4c3)n2n1
Show InChI InChI=1S/C20H13FN6/c21-16-6-4-14(5-7-16)18-12-23-20-25-24-19(27(20)26-18)11-13-3-8-17-15(10-13)2-1-9-22-17/h1-10,12H,11H2
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396941
PNG
(CHEMBL2170819)
Show SMILES OC(=O)Cn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C19H14N8O2/c28-17(29)11-26-10-14(7-22-26)16-8-21-18-19(23-16)27(25-24-18)9-12-3-4-15-13(6-12)2-1-5-20-15/h1-8,10H,9,11H2,(H,28,29)
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343354
PNG
(2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...)
Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC12CC(C1)C2 |(18.48,-15.32,;19.81,-14.55,;19.82,-13.01,;21.14,-12.24,;21.46,-10.74,;22.98,-10.57,;23.61,-11.97,;22.48,-13,;22.48,-14.55,;21.15,-15.33,;23.81,-15.32,;23.81,-16.86,;22.48,-17.63,;25.14,-17.63,;26.48,-16.86,;27.81,-17.62,;26.47,-15.31,;25.14,-14.55,;25.13,-13.01,;26.46,-12.23,;27.8,-13,;29.13,-12.22,;30.53,-12.84,;31.56,-11.69,;30.78,-10.36,;29.28,-10.68,;23.75,-9.23,;22.97,-7.9,;25.29,-9.23,;26.05,-7.89,;27.53,-7.49,;27.13,-6,;25.64,-6.41,;26.11,-6.64,)|
Show InChI InChI=1S/C23H23Cl2N7O2/c24-14-6-16(25)19(18(7-14)34-5-4-32-3-1-2-27-32)20-15-11-31(12-17(15)28-21(26)29-20)22(33)30-23-8-13(9-23)10-23/h1-3,6-7,13H,4-5,8-12H2,(H,30,33)(H2,26,28,29)
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396943
PNG
(CHEMBL2170816)
Show SMILES Cn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C18H14N8/c1-25-11-14(8-21-25)16-9-20-17-18(22-16)26(24-23-17)10-12-4-5-15-13(7-12)3-2-6-19-15/h2-9,11H,10H2,1H3
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396943
PNG
(CHEMBL2170816)
Show SMILES Cn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C18H14N8/c1-25-11-14(8-21-25)16-9-20-17-18(22-16)26(24-23-17)10-12-4-5-15-13(7-12)3-2-6-19-15/h2-9,11H,10H2,1H3
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440898
PNG
(CHEMBL2431828)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1ccccc1C#N)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H16N6/c1-15(16-8-9-20-17(13-16)6-4-12-25-20)23-27-26-22-11-10-21(28-29(22)23)19-7-3-2-5-18(19)14-24/h2-13,15H,1H3/t15-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396936
PNG
(CHEMBL2170949)
Show SMILES C(c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cnn(c1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C21H19N9/c1-2-15-8-14(3-4-18(15)23-6-1)12-30-21-20(27-28-30)24-11-19(26-21)16-9-25-29(13-16)17-5-7-22-10-17/h1-4,6,8-9,11,13,17,22H,5,7,10,12H2/t17-/m1/s1
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6.14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440900
PNG
(CHEMBL2431830)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1 |r|
Show InChI InChI=1S/C24H20N6O/c1-15(18-9-10-20-19(14-18)4-3-13-26-20)23-28-27-22-12-11-21(29-30(22)23)16-5-7-17(8-6-16)24(31)25-2/h3-15H,1-2H3,(H,25,31)/t15-/m0/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396967
PNG
(CHEMBL2170806)
Show SMILES N[C@@H]1CCN(C1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 |r|
Show InChI InChI=1S/C18H18N8/c19-14-5-7-25(11-14)16-9-21-17-18(22-16)26(24-23-17)10-12-3-4-15-13(8-12)2-1-6-20-15/h1-4,6,8-9,14H,5,7,10-11,19H2/t14-/m1/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343370
PNG
(2-Amino-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)p...)
Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCCC(F)(F)F)C(=O)NC1CCC1 |(-3.45,1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-1.02,-3.09,;.32,-3.85,;1.38,-3.22,;.33,-5.39,;-.99,-6.17,;-.98,-7.41,;-2.34,-5.42,;-2.35,-3.88,;-3.69,-3.12,;-5.02,-3.91,;-6.36,-3.15,;-7.69,-3.94,;-9.03,-3.19,;-10.11,-2.58,;-10.09,-3.81,;-9.05,-1.95,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.51,2.5,;8.61,1.43,;7.54,.33,)|
Show InChI InChI=1S/C21H22Cl2F3N5O2/c22-11-7-14(23)17(16(8-11)33-6-2-5-21(24,25)26)18-13-9-31(10-15(13)29-19(27)30-18)20(32)28-12-3-1-4-12/h7-8,12H,1-6,9-10H2,(H,28,32)(H2,27,29,30)
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343372
PNG
(Amino-4-(2,4-dichloro-6-phenethyloxyphenyl)-5,7-di...)
Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCc1ccccc1)C(=O)NC1CCC1 |(-9.98,-36.78,;-8.65,-36.01,;-8.65,-34.47,;-7.32,-33.7,;-7,-32.19,;-5.48,-32.03,;-4.84,-33.43,;-5.98,-34.46,;-5.98,-36.01,;-7.31,-36.79,;-4.65,-36.78,;-4.65,-38.32,;-5.98,-39.1,;-3.31,-39.09,;-1.98,-38.32,;-.64,-39.09,;-1.99,-36.77,;-3.32,-36.01,;-3.33,-34.47,;-2,-33.69,;-.66,-34.46,;.67,-33.68,;2,-34.45,;3.34,-33.68,;3.33,-32.13,;1.98,-31.37,;.66,-32.15,;-4.71,-30.69,;-5.49,-29.36,;-3.17,-30.68,;-2.4,-29.34,;-.92,-28.94,;-1.33,-27.45,;-2.82,-27.86,)|
Show InChI InChI=1S/C25H25Cl2N5O2/c26-16-11-19(27)22(21(12-16)34-10-9-15-5-2-1-3-6-15)23-18-13-32(14-20(18)30-24(28)31-23)25(33)29-17-7-4-8-17/h1-3,5-6,11-12,17H,4,7-10,13-14H2,(H,29,33)(H2,28,30,31)
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343380
PNG
(2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...)
Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC1CCC1 |(-9.61,-3.87,;-8.28,-3.11,;-8.28,-1.56,;-6.95,-.79,;-6.64,.71,;-5.11,.88,;-4.48,-.52,;-5.62,-1.55,;-5.61,-3.11,;-6.95,-3.88,;-4.28,-3.87,;-4.28,-5.41,;-5.62,-6.18,;-2.95,-6.18,;-1.61,-5.41,;-.28,-6.18,;-1.62,-3.86,;-2.96,-3.1,;-2.96,-1.56,;-1.63,-.78,;-.3,-1.55,;1.04,-.77,;2.44,-1.39,;3.47,-.24,;2.69,1.09,;1.19,.76,;-4.34,2.22,;-5.12,3.55,;-2.8,2.22,;-2.04,3.56,;-.56,3.96,;-.97,5.45,;-2.45,5.04,)|
Show InChI InChI=1S/C22H23Cl2N7O2/c23-13-9-16(24)19(18(10-13)33-8-7-31-6-2-5-26-31)20-15-11-30(12-17(15)28-21(25)29-20)22(32)27-14-3-1-4-14/h2,5-6,9-10,14H,1,3-4,7-8,11-12H2,(H,27,32)(H2,25,28,29)
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343355
PNG
(2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...)
Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NCC(F)(F)F |(-10.3,-27.03,;-8.97,-26.26,;-8.97,-24.72,;-7.64,-23.95,;-7.32,-22.45,;-5.8,-22.28,;-5.17,-23.68,;-6.3,-24.71,;-6.3,-26.26,;-7.64,-27.03,;-4.97,-27.03,;-4.97,-28.57,;-6.31,-29.34,;-3.64,-29.34,;-2.3,-28.57,;-.97,-29.33,;-2.31,-27.02,;-3.65,-26.26,;-3.65,-24.72,;-2.32,-23.94,;-.99,-24.71,;.34,-23.93,;1.75,-24.55,;2.78,-23.4,;2,-22.07,;.5,-22.39,;-5.03,-20.94,;-5.81,-19.61,;-3.49,-20.94,;-2.73,-19.6,;-1.19,-19.59,;-.43,-18.26,;-.41,-20.92,;.29,-19.19,)|
Show InChI InChI=1S/C20H18Cl2F3N7O2/c21-11-6-13(22)16(15(7-11)34-5-4-32-3-1-2-28-32)17-12-8-31(9-14(12)29-18(26)30-17)19(33)27-10-20(23,24)25/h1-3,6-7H,4-5,8-10H2,(H,27,33)(H2,26,29,30)
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440880
PNG
(CHEMBL2431836)
Show SMILES CC(C)Nc1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1 |r|
Show InChI InChI=1S/C19H20N6/c1-12(2)21-17-8-9-18-22-23-19(25(18)24-17)13(3)14-6-7-16-15(11-14)5-4-10-20-16/h4-13H,1-3H3,(H,21,24)/t13-/m0/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440897
PNG
(CHEMBL2431827)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1ccc(cc1)C#N)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H16N6/c1-15(18-8-9-20-19(13-18)3-2-12-25-20)23-27-26-22-11-10-21(28-29(22)23)17-6-4-16(14-24)5-7-17/h2-13,15H,1H3/t15-/m0/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440903
PNG
(CHEMBL2431833)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1ccc(nc1)N(C)C)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H21N7/c1-15(16-6-8-19-17(13-16)5-4-12-24-19)23-27-26-22-11-9-20(28-30(22)23)18-7-10-21(25-14-18)29(2)3/h4-15H,1-3H3/t15-/m0/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396969
PNG
(CHEMBL2170955)
Show SMILES OCCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C16H15N7O/c24-7-6-18-14-9-19-15-16(20-14)23(22-21-15)10-11-3-4-13-12(8-11)2-1-5-17-13/h1-5,8-9,24H,6-7,10H2,(H,18,20)
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343386
PNG
(2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...)
Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NCC(F)F |(34.26,-15.88,;35.59,-15.11,;35.59,-13.56,;36.92,-12.79,;37.23,-11.29,;38.76,-11.12,;39.39,-12.52,;38.25,-13.55,;38.26,-15.11,;36.92,-15.88,;39.59,-15.87,;39.59,-17.41,;38.25,-18.19,;40.92,-18.18,;42.26,-17.41,;43.59,-18.18,;42.25,-15.86,;40.91,-15.1,;40.91,-13.56,;42.24,-12.79,;43.57,-13.55,;44.9,-12.77,;46.31,-13.39,;47.34,-12.24,;46.56,-10.91,;45.06,-11.24,;39.53,-9.78,;38.75,-8.45,;41.07,-9.78,;41.83,-8.44,;43.37,-8.43,;44.13,-7.1,;44.15,-9.77,)|
Show InChI InChI=1S/C20H19Cl2F2N7O2/c21-11-6-13(22)17(15(7-11)33-5-4-31-3-1-2-27-31)18-12-9-30(20(32)26-8-16(23)24)10-14(12)28-19(25)29-18/h1-3,6-7,16H,4-5,8-10H2,(H,26,32)(H2,25,28,29)
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343385
PNG
(2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...)
Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC1CC(F)(F)C1 |(4.78,-16.81,;6.11,-16.04,;6.11,-14.5,;7.44,-13.73,;7.76,-12.23,;9.28,-12.06,;9.91,-13.46,;8.78,-14.49,;8.78,-16.04,;7.45,-16.82,;10.11,-16.81,;10.11,-18.35,;8.78,-19.12,;11.44,-19.12,;12.78,-18.35,;14.11,-19.11,;12.77,-16.8,;11.44,-16.04,;11.43,-14.5,;12.76,-13.72,;14.1,-14.49,;15.43,-13.71,;16.83,-14.33,;17.86,-13.18,;17.08,-11.85,;15.58,-12.17,;10.05,-10.72,;9.27,-9.39,;11.59,-10.72,;12.35,-9.38,;13.83,-8.98,;13.43,-7.49,;13.03,-6,;14.91,-7.09,;11.94,-7.9,)|
Show InChI InChI=1S/C22H21Cl2F2N7O2/c23-12-6-15(24)18(17(7-12)35-5-4-33-3-1-2-28-33)19-14-10-32(11-16(14)30-20(27)31-19)21(34)29-13-8-22(25,26)9-13/h1-3,6-7,13H,4-5,8-11H2,(H,29,34)(H2,27,30,31)
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440884
PNG
(CHEMBL2431816)
Show SMILES CC(C)Nc1ccc2nnc([C@@H](C)c3c[nH]c4ncccc34)n2n1 |r|
Show InChI InChI=1S/C17H19N7/c1-10(2)20-14-6-7-15-21-22-17(24(15)23-14)11(3)13-9-19-16-12(13)5-4-8-18-16/h4-11H,1-3H3,(H,18,19)(H,20,23)/t11-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440906
PNG
(CHEMBL2431819)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C20H17N7/c1-13(14-5-6-17-15(10-14)4-3-9-21-17)20-24-23-19-8-7-18(25-27(19)20)16-11-22-26(2)12-16/h3-13H,1-2H3/t13-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343356
PNG
(2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...)
Show SMILES CC(F)(F)CNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(6.7,-3.68,;7.3,-2.61,;7.93,-3.67,;8.54,-2.59,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-1.02,3.09,;-2.36,3.86,;-3.43,3.24,;-2.37,5.4,;-1.04,6.17,;-1.04,7.41,;.3,5.41,;.31,3.87,;1.64,3.11,;2.97,3.88,;4.31,3.12,;5.64,3.9,;5.77,5.42,;7.28,5.75,;8.06,4.42,;7.04,3.27,)|
Show InChI InChI=1S/C21H21Cl2F2N7O2/c1-21(24,25)11-27-20(33)31-9-13-15(10-31)29-19(26)30-18(13)17-14(23)7-12(22)8-16(17)34-6-5-32-4-2-3-28-32/h2-4,7-8H,5-6,9-11H2,1H3,(H,27,33)(H2,26,29,30)
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396960
PNG
(CHEMBL2170957)
Show SMILES Oc1ccc(Cc2nnc3ncc(nn23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H12FN5O/c18-13-5-3-12(4-6-13)15-10-19-17-21-20-16(23(17)22-15)9-11-1-7-14(24)8-2-11/h1-8,10,24H,9H2
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50352534
PNG
(CHEMBL1824878)
Show SMILES CC(Oc1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCC[C@@H]1CN1CCCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C29H31Cl2FN4O2/c1-18(26-23(30)10-11-24(32)27(26)31)38-25-15-21(16-34-28(25)33)19-6-8-20(9-7-19)29(37)36-14-4-5-22(36)17-35-12-2-3-13-35/h6-11,15-16,18,22H,2-5,12-14,17H2,1H3,(H2,33,34)/t18?,22-/m1/s1
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343384
PNG
(4-(2-(2-(1H-pyrazol-1-yl)ethoxy)-4,6-dichloropheny...)
Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC1CC1 |(-9,-15.24,;-7.66,-14.47,;-7.66,-12.92,;-6.33,-12.15,;-6.02,-10.65,;-4.49,-10.48,;-3.86,-11.88,;-5,-12.92,;-4.99,-14.47,;-6.33,-15.24,;-3.66,-15.23,;-3.66,-16.78,;-5,-17.55,;-2.33,-17.54,;-1,-16.77,;.34,-17.54,;-1,-15.22,;-2.34,-14.46,;-2.35,-12.92,;-1.01,-12.15,;.32,-12.91,;1.65,-12.13,;3.06,-12.75,;4.09,-11.6,;3.31,-10.27,;1.8,-10.6,;-3.73,-9.14,;-4.5,-7.81,;-2.19,-9.14,;-1.42,-7.8,;-.09,-7.02,;-1.43,-6.25,)|
Show InChI InChI=1S/C21H21Cl2N7O2/c22-12-8-15(23)18(17(9-12)32-7-6-30-5-1-4-25-30)19-14-10-29(21(31)26-13-2-3-13)11-16(14)27-20(24)28-19/h1,4-5,8-9,13H,2-3,6-7,10-11H2,(H,26,31)(H2,24,27,28)
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440902
PNG
(CHEMBL2431832)
Show SMILES C[C@H](c1nnc2ccc(nn12)-c1ccc(cc1)S(C)(=O)=O)c1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C23H19N5O2S/c1-15(17-7-10-20-18(14-17)4-3-13-24-20)23-26-25-22-12-11-21(27-28(22)23)16-5-8-19(9-6-16)31(2,29)30/h3-15H,1-2H3/t15-/m0/s1
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440888
PNG
(CHEMBL2429888)
Show SMILES N#Cc1cccc(c1)-c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
Show InChI InChI=1S/C22H14N6/c23-14-16-3-1-4-18(12-16)20-8-9-21-25-26-22(28(21)27-20)13-15-6-7-19-17(11-15)5-2-10-24-19/h1-12H,13H2
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343383
PNG
(2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...)
Show SMILES CCNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(44.4,3.73,;42.86,3.73,;42.1,2.39,;40.56,2.38,;39.78,3.71,;39.79,1.05,;38.27,.88,;37.95,-.62,;36.62,-1.39,;36.62,-2.94,;35.29,-3.71,;37.96,-3.71,;39.29,-2.94,;39.29,-1.39,;40.42,-.35,;40.62,-3.7,;40.62,-5.25,;39.29,-6.02,;41.95,-6.01,;43.29,-5.24,;44.62,-6.01,;43.28,-3.69,;41.94,-2.93,;41.94,-1.39,;43.27,-.62,;44.61,-1.38,;45.94,-.61,;47.34,-1.22,;48.37,-.07,;47.59,1.26,;46.09,.93,)|
Show InChI InChI=1S/C20H21Cl2N7O2/c1-2-24-20(30)28-10-13-15(11-28)26-19(23)27-18(13)17-14(22)8-12(21)9-16(17)31-7-6-29-5-3-4-25-29/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,24,30)(H2,23,26,27)
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...


J Med Chem 54: 3368-85 (2011)


Article DOI: 10.1021/jm200128m
BindingDB Entry DOI: 10.7270/Q2Z320M5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396935
PNG
(CHEMBL2170950)
Show SMILES C(c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C22H21N9/c1-2-16-10-15(3-4-19(16)24-7-1)13-31-22-21(28-29-31)25-12-20(27-22)17-11-26-30(14-17)18-5-8-23-9-6-18/h1-4,7,10-12,14,18,23H,5-6,8-9,13H2
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13.7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry


J Med Chem 55: 8091-109 (2012)


Article DOI: 10.1021/jm300967g
BindingDB Entry DOI: 10.7270/Q2Z60Q59
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50352559
PNG
(CHEMBL1825136)
Show SMILES CC(Oc1cc(cnc1N)-c1cnn(c1)C1CCCNC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)4-5-17(24)20(19)23)30-18-7-13(8-27-21(18)25)14-9-28-29(11-14)15-3-2-6-26-10-15/h4-5,7-9,11-12,15,26H,2-3,6,10H2,1H3,(H2,25,27)
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440883
PNG
(CHEMBL2431815)
Show SMILES C[C@@H](c1c[nH]c2ncccc12)c1nnc2ccc(nn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C21H15N7/c1-13(17-12-24-20-16(17)3-2-10-23-20)21-26-25-19-9-8-18(27-28(19)21)15-6-4-14(11-22)5-7-15/h2-10,12-13H,1H3,(H,23,24)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay


J Med Chem 56: 6651-65 (2013)


Article DOI: 10.1021/jm400926x
BindingDB Entry DOI: 10.7270/Q2HM59WR
More data for this
Ligand-Target Pair
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