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Compile Data Set for Download or QSAR

Found 567 hits with Last Name = 'marshall' and Initial = 'cg'   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)|
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1
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 0.880n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human His6-tagged HDM2 (1 to 118 residues) assessed as reduction in PMDM6-F binding incubated for 15 to 30 mins by fl...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01524
BindingDB Entry DOI: 10.7270/Q2Z03D1V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50449372
PNG
(CHEMBL3126350)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C17H11Cl2N5O3S/c18-11-5-8(28(20,26)27)6-12(19)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)(H2,20,26,27)
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n/an/a 0.150n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay

Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50449373
PNG
(CHEMBL3126349)
Show SMILES OC(C(F)F)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2F2N4O2/c20-11-5-8(16(28)17(22)23)6-12(21)15(11)27-18-9-1-4-25-19(29)14(9)10-7-24-3-2-13(10)26-18/h1-7,16-17,28H,(H,25,29)(H,26,27)
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n/an/a 0.200n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay

Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355409
PNG
(CHEMBL1835142)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(cnc(N[C@H](C3CC3)C(F)(F)F)c21)C(N)=O |r|
Show InChI InChI=1S/C21H19F3N6O/c1-30-9-12(7-27-30)11-4-5-13-15(6-11)28-17-14(19(25)31)8-26-20(16(13)17)29-18(10-2-3-10)21(22,23)24/h4-10,18,28H,2-3H2,1H3,(H2,25,31)(H,26,29)/t18-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50449375
PNG
(CHEMBL3126347)
Show SMILES CC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2N4O2/c1-20(2,28)10-7-13(21)17(14(22)8-10)26-18-11-3-6-24-19(27)16(11)12-9-23-5-4-15(12)25-18/h3-9,28H,1-2H3,(H,24,27)(H,25,26)
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n/an/a 0.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay

Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50449376
PNG
(CHEMBL3126346)
Show SMILES CC(O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2N4O2/c1-9(26)10-6-13(20)17(14(21)7-10)25-18-11-2-5-23-19(27)16(11)12-8-22-4-3-15(12)24-18/h2-9,26H,1H3,(H,23,27)(H,24,25)
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n/an/a 0.600n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay

Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
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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n/an/a 0.700n/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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355405
PNG
(CHEMBL1835153)
Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)17(9-1-2-9)31-19-15-12-4-3-10(11-6-28-20(26)29-7-11)5-14(12)30-16(15)13(8-27-19)18(25)32/h3-9,17,30H,1-2H2,(H2,25,32)(H,27,31)(H2,26,28,29)/t17-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50449381
PNG
(CHEMBL3126341)
Show SMILES Fc1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C17H9Cl2FN4O/c18-11-5-8(20)6-12(19)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)
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n/an/a 0.800n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay

Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50449383
PNG
(CHEMBL3126352)
Show SMILES Fc1cc(F)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C17H9ClF2N4O/c18-11-5-8(19)6-12(20)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)
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n/an/a 0.900n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay

Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355451
PNG
(CHEMBL1835137)
Show SMILES C[C@H](Nc1ncc(C(N)=O)c2[nH]c3cc(ccc3c12)-c1cnn(C)c1)C1CC1 |r|
Show InChI InChI=1S/C21H22N6O/c1-11(12-3-4-12)25-21-18-15-6-5-13(14-8-24-27(2)10-14)7-17(15)26-19(18)16(9-23-21)20(22)28/h5-12,26H,3-4H2,1-2H3,(H2,22,28)(H,23,25)/t11-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50331809
PNG
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay

Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355416
PNG
(CHEMBL1835149)
Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C20H17F3N6O/c21-20(22,23)17(9-1-2-9)29-19-15-12-4-3-10(11-6-26-27-7-11)5-14(12)28-16(15)13(8-25-19)18(24)30/h3-9,17,28H,1-2H2,(H2,24,30)(H,25,29)(H,26,27)/t17-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355415
PNG
(CHEMBL1833986)
Show SMILES NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1
Show InChI InChI=1S/C23H23N7O/c24-21(31)16-10-26-22(30-19(11-1-2-11)12-3-4-12)18-15-6-5-13(7-17(15)29-20(16)18)14-8-27-23(25)28-9-14/h5-12,19,29H,1-4H2,(H2,24,31)(H,26,30)(H2,25,27,28)
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50449378
PNG
(CHEMBL3126344)
Show SMILES FC(F)(F)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C18H9Cl2F3N4O/c19-11-5-8(18(21,22)23)6-12(20)15(11)27-16-9-1-4-25-17(28)14(9)10-7-24-3-2-13(10)26-16/h1-7H,(H,25,28)(H,26,27)
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay

Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50449374
PNG
(CHEMBL3126348)
Show SMILES Clc1cc(cc(Cl)c1Nc1nc2ccncc2c2c1cc[nH]c2=O)-c1cc[nH]n1
Show InChI InChI=1S/C20H12Cl2N6O/c21-13-7-10(15-3-6-25-28-15)8-14(22)18(13)27-19-11-1-5-24-20(29)17(11)12-9-23-4-2-16(12)26-19/h1-9H,(H,24,29)(H,25,28)(H,26,27)
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay

Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))		BDBM50598850
PNG
(CHEMBL5196713)
Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)cnc12 |(.92,2.78,;1.81,1.93,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,;1.45,.43,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;-3.87,2.68,;-4.93,3.3,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))		BDBM50598854
PNG
(CHEMBL5174684)
Show SMILES Cc1cnc2n(c(N)c(C(N)=O)c2c1)-c1c(C)ccc(O)c1C |(-4.93,3.3,;-3.87,2.68,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;1.45,.43,;1.81,1.93,;.92,2.78,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))		BDBM50598845
PNG
(CHEMBL5201803)
Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)C1CC1 |(3.4,-2.47,;3.69,-1.27,;5.17,-.84,;5.53,.66,;4.42,1.72,;4.71,2.92,;2.94,1.29,;2.05,2.14,;2.58,-.21,;1.07,-.53,;.45,-1.94,;1.06,-3.01,;-1.09,-1.78,;-2.11,-2.92,;-3.32,-2.67,;-1.73,-4.1,;-1.4,-.27,;-2.74,.5,;-2.74,2.04,;-1.4,2.81,;-.07,2.04,;-.07,.5,;-4.07,2.81,;-5.53,2.81,;-4.76,4.1,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50273535
PNG
(CHEMBL4130288 | US11535607, Example 18-1)
Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1nc2cc(ccc2o1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O3/c1-18(2)13-5-3-4-11(16(26)24-27)12(13)9-25(18)17-23-14-8-10(19(20,21)22)6-7-15(14)28-17/h3-8,27H,9H2,1-2H3,(H,24,26)
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FORMA Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...

Bioorg Med Chem Lett 28: 2143-2147 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.021
BindingDB Entry DOI: 10.7270/Q2PR7ZGX
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50331809
PNG
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in cell-free system

Bioorg Med Chem Lett 20: 7421-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50331808
PNG
((R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in cell-free system

Bioorg Med Chem Lett 20: 7421-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50355405
PNG
(CHEMBL1835153)
Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)17(9-1-2-9)31-19-15-12-4-3-10(11-6-28-20(26)29-7-11)5-14(12)30-16(15)13(8-27-19)18(25)32/h3-9,17,30H,1-2H2,(H2,25,32)(H,27,31)(H2,26,28,29)/t17-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355417
PNG
(CHEMBL1835150)
Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1ccc(N)nc1 |r|
Show InChI InChI=1S/C22H19F3N6O/c23-22(24,25)19(10-1-2-10)31-21-17-13-5-3-11(12-4-6-16(26)28-8-12)7-15(13)30-18(17)14(9-29-21)20(27)32/h3-10,19,30H,1-2H2,(H2,26,28)(H2,27,32)(H,29,31)/t19-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50273522
PNG
(CHEMBL4127743 | US11535607, Example 12-1)
Show SMILES ONC(=O)c1cccc2CN(Cc12)c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N4O2/c18-17(19,20)10-4-5-13-14(6-10)22-16(21-13)24-7-9-2-1-3-11(12(9)8-24)15(25)23-26/h1-6,26H,7-8H2,(H,21,22)(H,23,25)
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FORMA Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...

Bioorg Med Chem Lett 28: 2143-2147 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.021
BindingDB Entry DOI: 10.7270/Q2PR7ZGX
More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))		BDBM50598851
PNG
(CHEMBL5199076)
Show SMILES Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-4.93,2.68,;-3.87,2.07,;-3.87,.52,;-2.53,-.25,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-.68,-1.91,;-.06,-2.98,;-.05,-.5,;1.45,-.18,;1.81,1.31,;.92,2.16,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;-1.2,.52,;-1.2,2.07,;-2.53,2.84,;-2.53,4.07,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50273537
PNG
(CHEMBL4128164 | US11535607, Example 50-5)
Show SMILES ONC(=O)c1ccc2CN(CCc2c1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H16N4O2/c22-16(20-23)12-5-6-13-10-21(8-7-11(13)9-12)17-18-14-3-1-2-4-15(14)19-17/h1-6,9,23H,7-8,10H2,(H,18,19)(H,20,22)
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FORMA Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC6 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay

Bioorg Med Chem Lett 28: 2143-2147 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.021
BindingDB Entry DOI: 10.7270/Q2PR7ZGX
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50273553
PNG
(CHEMBL4127020 | US10508088, ID HDTK028 | US1153560...)
Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N4O2/c1-18(2)13-5-3-4-11(16(27)25-28)12(13)9-26(18)17-23-14-7-6-10(19(20,21)22)8-15(14)24-17/h3-8,28H,9H2,1-2H3,(H,23,24)(H,25,27)
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FORMA Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...

Bioorg Med Chem Lett 28: 2143-2147 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.021
BindingDB Entry DOI: 10.7270/Q2PR7ZGX
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50273525
PNG
(CHEMBL4128972 | US11535607, Example 18-2)
Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1nc2ncccc2o1
Show InChI InChI=1S/C17H16N4O3/c1-17(2)12-6-3-5-10(15(22)20-23)11(12)9-21(17)16-19-14-13(24-16)7-4-8-18-14/h3-8,23H,9H2,1-2H3,(H,20,22)
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FORMA Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...

Bioorg Med Chem Lett 28: 2143-2147 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.021
BindingDB Entry DOI: 10.7270/Q2PR7ZGX
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))		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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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))		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))		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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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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50449380
PNG
(CHEMBL3126342)
Show SMILES Clc1cncc(Cl)c1Nc1nc2ccncc2c2c1cc[nH]c2=O
Show InChI InChI=1S/C16H9Cl2N5O/c17-10-6-20-7-11(18)14(10)23-15-8-1-4-21-16(24)13(8)9-5-19-3-2-12(9)22-15/h1-7H,(H,21,24)(H,20,22,23)
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n/an/a 2n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay

Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355408
PNG
(CHEMBL1835141)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(cnc(NC(C3CC3)C3CC3)c21)C(N)=O
Show InChI InChI=1S/C23H24N6O/c1-29-11-15(9-26-29)14-6-7-16-18(8-14)27-21-17(22(24)30)10-25-23(19(16)21)28-20(12-2-3-12)13-4-5-13/h6-13,20,27H,2-5H2,1H3,(H2,24,30)(H,25,28)
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n/an/a 2n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50355403
PNG
(CHEMBL261386)
Show SMILES Fc1ccc2c3[nH]c(nc3c3cc[nH]c(=O)c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H11ClFN3O/c21-15-4-2-1-3-12(15)19-24-17-11-6-5-10(22)9-14(11)16-13(18(17)25-19)7-8-23-20(16)26/h1-9H,(H,23,26)(H,24,25)
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n/an/a 2n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355413
PNG
(CHEMBL1835147)
Show SMILES NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cccnn1
Show InChI InChI=1S/C23H22N6O/c24-22(30)16-11-25-23(28-20(12-3-4-12)13-5-6-13)19-15-8-7-14(10-18(15)27-21(16)19)17-2-1-9-26-29-17/h1-2,7-13,20,27H,3-6H2,(H2,24,30)(H,25,28)
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n/an/a 2n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355406
PNG
(CHEMBL1835139)
Show SMILES CCC(Nc1ncc(C(N)=O)c2[nH]c3cc(ccc3c12)-c1cnn(C)c1)C1CC1
Show InChI InChI=1S/C22H24N6O/c1-3-17(12-4-5-12)27-22-19-15-7-6-13(14-9-25-28(2)11-14)8-18(15)26-20(19)16(10-24-22)21(23)29/h6-12,17,26H,3-5H2,1-2H3,(H2,23,29)(H,24,27)
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n/an/a 2n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
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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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))		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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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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355419
PNG
(CHEMBL1835152)
Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1ccc(nn1)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C25H24F3N7O3S/c26-25(27,28)22(13-1-2-13)32-24-20-15-4-3-14(11-18(15)31-21(20)16(12-30-24)23(29)36)17-5-6-19(34-33-17)35-7-9-39(37,38)10-8-35/h3-6,11-13,22,31H,1-2,7-10H2,(H2,29,36)(H,30,32)/t22-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
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)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355412
PNG
(CHEMBL1835146)
Show SMILES NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cn[nH]c1
Show InChI InChI=1S/C22H22N6O/c23-21(29)16-10-24-22(28-19(11-1-2-11)12-3-4-12)18-15-6-5-13(14-8-25-26-9-14)7-17(15)27-20(16)18/h5-12,19,27H,1-4H2,(H2,23,29)(H,24,28)(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50355403
PNG
(CHEMBL261386)
Show SMILES Fc1ccc2c3[nH]c(nc3c3cc[nH]c(=O)c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H11ClFN3O/c21-15-4-2-1-3-12(15)19-24-17-11-6-5-10(22)9-14(11)16-13(18(17)25-19)7-8-23-20(16)26/h1-9H,(H,23,26)(H,24,25)
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n/an/a 3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2

J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
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))		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))		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
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