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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 363.3
BDBM50159512
Wt: 363.3
BDBM50159509
Wt: 273.2
BDBM50229700
Wt: 253.7
BDBM50229701
Wt: 284.1
BDBM50229703
Wt: 238.3
BDBM50229704
Wt: 237.3
BDBM50229699
Wt: 255.3
BDBM50229702
Wt: 221.2
BDBM50229025
Wt: 301.2
BDBM50233257
Wt: 315.3
BDBM50233235
Wt: 349.3
BDBM50233237
Wt: 347.3
BDBM50233243
Wt: 343.3
BDBM50233246
Wt: 357.4
BDBM50233247
Displayed 1 to 15 (of 68 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 35 hits in this display   
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
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50229025
PNG
(CHEMBL4092421)
Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 (unknown origin) using MBP as substrate preincubated for 15 mins followed by MBP/ATP mixture addition measured after 90 mins by AD...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159512
PNG
(CHEMBL3786293)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159512
PNG
(CHEMBL3786293)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 (1 to 375 residues) after 4 hrs by ADP-Glo reagent based assay


J Med Chem 59: 2163-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159512
PNG
(CHEMBL3786293)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 in human U937 cells assessed as inhibition of TNF/zVAD.fmk induced necroptosis after 24 hrs by Cell titer-Glo luminescence a...


J Med Chem 59: 2163-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159512
PNG
(CHEMBL3786293)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233247
PNG
(CHEMBL4062496)
Show SMILES CCCCCc1cc(no1)C(=O)N[C@H]1COc2ccccc2N(C)C1=O
Show InChI InChI=1S/C19H23N3O4/c1-3-4-5-8-13-11-14(21-26-13)18(23)20-15-12-25-17-10-7-6-9-16(17)22(2)19(15)24/h6-7,9-11,15H,3-5,8,12H2,1-2H3,(H,20,23)/t15-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233247
PNG
(CHEMBL4062496)
Show SMILES CCCCCc1cc(no1)C(=O)N[C@H]1COc2ccccc2N(C)C1=O
Show InChI InChI=1S/C19H23N3O4/c1-3-4-5-8-13-11-14(21-26-13)18(23)20-15-12-25-17-10-7-6-9-16(17)22(2)19(15)24/h6-7,9-11,15H,3-5,8,12H2,1-2H3,(H,20,23)/t15-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159512
PNG
(CHEMBL3786293)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human RIP1 in human U937 cells assessed as inhibition of TNF/zVAD.fmk induced necroptosis after 24 hrs by Cell titer-Glo luminescence a...


J Med Chem 59: 2163-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159512
PNG
(CHEMBL3786293)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233246
PNG
(CHEMBL4084200)
Show SMILES CC(C)Cc1cc(no1)C(=O)N[C@H]1COc2ccccc2N(C)C1=O
Show InChI InChI=1S/C18H21N3O4/c1-11(2)8-12-9-13(20-25-12)17(22)19-14-10-24-16-7-5-4-6-15(16)21(3)18(14)23/h4-7,9,11,14H,8,10H2,1-3H3,(H,19,22)/t14-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50229025
PNG
(CHEMBL4092421)
Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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n/an/a>3.50E+3n/an/an/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233246
PNG
(CHEMBL4084200)
Show SMILES CC(C)Cc1cc(no1)C(=O)N[C@H]1COc2ccccc2N(C)C1=O
Show InChI InChI=1S/C18H21N3O4/c1-11(2)8-12-9-13(20-25-12)17(22)19-14-10-24-16-7-5-4-6-15(16)21(3)18(14)23/h4-7,9,11,14H,8,10H2,1-3H3,(H,19,22)/t14-/m0/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233243
PNG
(CHEMBL4080634)
Show SMILES O=C(NC1Cc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O3/c24-19-17(11-14-8-4-5-9-16(14)21-19)22-20(25)18-12-15(26-23-18)10-13-6-2-1-3-7-13/h1-9,12,17H,10-11H2,(H,21,24)(H,22,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233237
PNG
(CHEMBL4065985)
Show SMILES O=C(N[C@@H]1CNc2ccccc2OC1)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H19N3O3/c24-20(18-11-16(26-23-18)10-14-6-2-1-3-7-14)22-15-12-21-17-8-4-5-9-19(17)25-13-15/h1-9,11,15,21H,10,12-13H2,(H,22,24)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159509
PNG
(CHEMBL3787216)
Show SMILES O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159509
PNG
(CHEMBL3787216)
Show SMILES O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay


J Med Chem 59: 2163-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159509
PNG
(CHEMBL3787216)
Show SMILES O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233237
PNG
(CHEMBL4065985)
Show SMILES O=C(N[C@@H]1CNc2ccccc2OC1)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H19N3O3/c24-20(18-11-16(26-23-18)10-14-6-2-1-3-7-14)22-15-12-21-17-8-4-5-9-19(17)25-13-15/h1-9,11,15,21H,10,12-13H2,(H,22,24)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233235
PNG
(CHEMBL4060280)
Show SMILES O=C(N[C@H]1COCCNC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C16H17N3O4/c20-15-14(10-22-7-6-17-15)18-16(21)13-9-12(23-19-13)8-11-4-2-1-3-5-11/h1-5,9,14H,6-8,10H2,(H,17,20)(H,18,21)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233235
PNG
(CHEMBL4060280)
Show SMILES O=C(N[C@H]1COCCNC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C16H17N3O4/c20-15-14(10-22-7-6-17-15)18-16(21)13-9-12(23-19-13)8-11-4-2-1-3-5-11/h1-5,9,14H,6-8,10H2,(H,17,20)(H,18,21)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159509
PNG
(CHEMBL3787216)
Show SMILES O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m1/s1
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay


J Med Chem 59: 2163-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233243
PNG
(CHEMBL4080634)
Show SMILES O=C(NC1Cc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C20H17N3O3/c24-19-17(11-14-8-4-5-9-16(14)21-19)22-20(25)18-12-15(26-23-18)10-13-6-2-1-3-7-13/h1-9,12,17H,10-11H2,(H,21,24)(H,22,25)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233257
PNG
(CHEMBL4061414)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(C)on2)C1=O
Show InChI InChI=1S/C15H15N3O4/c1-9-7-10(17-22-9)14(19)16-11-8-21-13-6-4-3-5-12(13)18(2)15(11)20/h3-7,11H,8H2,1-2H3,(H,16,19)/t11-/m0/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...


J Med Chem 60: 1247-1261 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01751
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50229025
PNG
(CHEMBL4092421)
Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50229025
PNG
(CHEMBL4092421)
Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50229025
PNG
(CHEMBL4092421)
Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50229025
PNG
(CHEMBL4092421)
Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50229704
PNG
(CHEMBL4078215)
Show SMILES CCC(C)(C)C(=O)N(C)Cc1ccncc1F
Show InChI InChI=1S/C13H19FN2O/c1-5-13(2,3)12(17)16(4)9-10-6-7-15-8-11(10)14/h6-8H,5,9H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50229699
PNG
(CHEMBL4059584)
Show SMILES CCC(C)(C)C(=O)N(C)Cc1ccccc1F
Show InChI InChI=1S/C14H20FNO/c1-5-14(2,3)13(17)16(4)10-11-8-6-7-9-12(11)15/h6-9H,5,10H2,1-4H3
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n/an/an/an/a 125n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50229700
PNG
(CHEMBL4085167)
Show SMILES CCC(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1F
Show InChI InChI=1S/C14H18F3NO/c1-5-14(2,3)13(19)18(4)8-9-6-10(15)7-11(16)12(9)17/h6-7H,5,8H2,1-4H3
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n/an/an/an/a 12n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50229701
PNG
(CHEMBL4078224)
Show SMILES CCC(C)(C)C(=O)N(C)Cc1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-5-14(2,3)13(17)16(4)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3
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n/an/an/an/a 628n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50229703
PNG
(CHEMBL4080015)
Show SMILES CCC(C)(C)C(=O)NCc1ccccc1Br
Show InChI InChI=1S/C13H18BrNO/c1-4-13(2,3)12(16)15-9-10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3,(H,15,16)
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n/an/an/an/a 8.56E+3n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50229025
PNG
(CHEMBL4092421)
Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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n/an/an/an/a 28n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Mus musculus)
BDBM50229025
PNG
(CHEMBL4092421)
Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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n/an/an/an/a 27n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in mouse L929 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 6 hrs by Cell Titer-Glo luminescent cell vi...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50229702
PNG
(CHEMBL4101314)
Show SMILES CCC(C)(C)C(=O)N(C)Cc1cccc(F)c1F
Show InChI InChI=1S/C14H19F2NO/c1-5-14(2,3)13(18)17(4)9-10-7-6-8-11(15)12(10)16/h6-8H,5,9H2,1-4H3
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n/an/an/an/a 58n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair