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Compile Data Set for Download or QSAR

Found 742 hits of ic50 for UniProtKB: Q13546   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233227
PNG
(CHEMBL4067372)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)C1=O |r|
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n/an/a 0.0500n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159697
PNG
(CHEMBL3785745)
Show SMILES CN1c2ccccc2SC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1/C21H19N3O3S/c1-24-18-9-5-6-10-19(18)28-13-17(21(24)26)22-20(25)16-12-15(27-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/s2
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n/an/a 0.0630n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233256
PNG
(CHEMBL4093220)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnn(Cc3ccccc3)n2)C1=O |r|
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n/an/a 0.0790n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159696
PNG
(CHEMBL3786997)
Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1/C22H21N3O3/c1-25-20-10-6-5-9-16(20)11-12-18(22(25)27)23-21(26)19-14-17(28-24-19)13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,23,26)/t18-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159696
PNG
(CHEMBL3786997)
Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1/C22H21N3O3/c1-25-20-10-6-5-9-16(20)11-12-18(22(25)27)23-21(26)19-14-17(28-24-19)13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,23,26)/t18-/s2
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n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human RIP1 (1 to 324 residues) after 30 mins by ADP-Glo reagent based assay


J Med Chem 59: 2163-78 (2016)


BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233248
PNG
(CHEMBL4096224)
Show SMILES COC(=O)Nc1ccc2OC[C@H](NC(=O)c3cc(Cc4ccccc4)on3)C(=O)N(C)c2c1 |r|
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n/an/a 0.320n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233244
PNG
(CHEMBL4068954)
Show SMILES CN1c2cc(NC(C)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
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n/an/a 0.320n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233225
PNG
(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
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n/an/a 0.400n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159693
PNG
(CHEMBL3785482)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)[nH]n2)C1=O |r|
Show InChI InChI=1/C21H20N4O3/c1-25-18-9-5-6-10-19(18)28-13-17(21(25)27)22-20(26)16-12-15(23-24-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,26)(H,23,24)/t17-/s2
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n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human RIP1 (1 to 324 residues) after 30 mins by ADP-Glo reagent based assay


J Med Chem 59: 2163-78 (2016)


BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233228
PNG
(CHEMBL4060644)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)n(C)n2)C1=O |r|
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n/an/a 0.400n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233255
PNG
(CHEMBL4069318)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)cn2)C1=O |r|
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n/an/a 0.400n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233226
PNG
(CHEMBL4089558)
Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1n[nH]c(=O)o1 |r|
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n/an/a 0.5n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233225
PNG
(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
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n/an/a 0.5n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233230
PNG
(CHEMBL4099004)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2noc(Cc3ccccc3)n2)C1=O |r|
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n/an/a 0.5n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233240
PNG
(CHEMBL4065561)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O |r|
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n/an/a 0.630n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233249
PNG
(CHEMBL4081685)
Show SMILES CN1c2cc(NS(C)(=O)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
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n/an/a 0.630n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159508
PNG
(CHEMBL3786078)
Show SMILES CN1c2ccccc2NC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1/C21H20N4O3/c1-25-19-10-6-5-9-16(19)22-13-18(21(25)27)23-20(26)17-12-15(28-24-17)11-14-7-3-2-4-8-14/h2-10,12,18,22H,11,13H2,1H3,(H,23,26)/t18-/s2
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n/an/a 0.790n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159508
PNG
(CHEMBL3786078)
Show SMILES CN1c2ccccc2NC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1/C21H20N4O3/c1-25-19-10-6-5-9-16(19)22-13-18(21(25)27)23-20(26)17-12-15(28-24-17)11-14-7-3-2-4-8-14/h2-10,12,18,22H,11,13H2,1H3,(H,23,26)/t18-/s2
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n/an/a 0.790n/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)


BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233229
PNG
(CHEMBL4088857)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnc(Cc3ccccc3)o2)C1=O |r|
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n/an/a 0.790n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159697
PNG
(CHEMBL3785745)
Show SMILES CN1c2ccccc2SC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1/C21H19N3O3S/c1-24-18-9-5-6-10-19(18)28-13-17(21(24)26)22-20(25)16-12-15(27-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/s2
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n/an/a 0.940n/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)


BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233225
PNG
(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
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n/an/a 1n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233250
PNG
(CHEMBL4099698)
Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1cc[nH]n1 |r|
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Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233227
PNG
(CHEMBL4067372)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)C1=O |r|
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Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233252
PNG
(CHEMBL4080978)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)nn2)C1=O |r|
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Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50446266
PNG
(CHEMBL3109212)
Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C27H19F4N5O/c28-23-8-7-18(27(29,30)31)12-24(23)36-26(37)35-20-6-2-4-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-3-1-5-19(32)9-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

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)-...


ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244721
PNG
(CHEMBL4100398)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159507
PNG
(CHEMBL3785703)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/s2
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n/an/a 1.60n/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)


BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233225
PNG
(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
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n/an/a 1.60n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233240
PNG
(CHEMBL4065561)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O |r|
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n/an/a 1.60n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159697
PNG
(CHEMBL3785745)
Show SMILES CN1c2ccccc2SC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1/C21H19N3O3S/c1-24-18-9-5-6-10-19(18)28-13-17(21(24)26)22-20(25)16-12-15(27-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/s2
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n/an/a 2n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233241
PNG
(CHEMBL4071080)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)ccn2)C1=O |r|
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n/an/a 2n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233225
PNG
(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
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n/an/a 2n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233256
PNG
(CHEMBL4093220)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnn(Cc3ccccc3)n2)C1=O |r|
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n/an/a 2.5n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159507
PNG
(CHEMBL3785703)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/s2
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n/an/a 2.80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human WT RIP1 infected in HEK293T cells assessed as reduction in S166 phosphorylation by ELISA


J Med Chem 59: 2163-78 (2016)


BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50446270
PNG
(CHEMBL3109194)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C29H22F4N4O3S/c1-2-41(39,40)22-9-6-17(7-10-22)19-13-23-24(16-35-27(23)34-15-19)18-4-3-5-21(12-18)36-28(38)37-26-14-20(29(31,32)33)8-11-25(26)30/h3-16H,2H2,1H3,(H,34,35)(H2,36,37,38)
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

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)-...


ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159699
PNG
(CHEMBL3787689)
Show SMILES O=C(N[C@H]1CNc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r|
Show InChI InChI=1/C20H18N4O3/c25-19(17-11-14(27-24-17)10-13-6-2-1-3-7-13)23-18-12-21-15-8-4-5-9-16(15)22-20(18)26/h1-9,11,18,21H,10,12H2,(H,22,26)(H,23,25)/t18-/s2
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n/an/a 3.20n/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)


BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233226
PNG
(CHEMBL4089558)
Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1n[nH]c(=O)o1 |r|
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n/an/a 3.20n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50446269
PNG
(CHEMBL3109209)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N5O/c27-22-7-6-18(26(28,29)30)11-23(22)35-25(36)34-19-5-1-3-15(9-19)21-14-33-24-20(21)10-17(13-32-24)16-4-2-8-31-12-16/h1-14H,(H,32,33)(H2,34,35,36)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...


ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233230
PNG
(CHEMBL4099004)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2noc(Cc3ccccc3)n2)C1=O |r|
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n/an/a 5n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233242
PNG
(CHEMBL4069959)
Show SMILES CN1C[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C(=O)N(C)c2ccccc12 |r|
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n/an/a 5n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50446264
PNG
(CHEMBL3109214)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1)C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O/c25-20-5-4-16(24(26,27)28)8-21(20)34-23(35)33-17-3-1-2-13(6-17)19-12-30-22-18(19)7-14(9-29-22)15-10-31-32-11-15/h1-12H,(H,29,30)(H,31,32)(H2,33,34,35)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...


ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233255
PNG
(CHEMBL4069318)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)cn2)C1=O |r|
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n/an/a 6.30n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50446269
PNG
(CHEMBL3109209)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N5O/c27-22-7-6-18(26(28,29)30)11-23(22)35-25(36)34-19-5-1-3-15(9-19)21-14-33-24-20(21)10-17(13-32-24)16-4-2-8-31-12-16/h1-14H,(H,32,33)(H2,34,35,36)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...


ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233250
PNG
(CHEMBL4099698)
Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1cc[nH]n1 |r|
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n/an/a 6.30n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233225
PNG
(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
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n/an/a 6.30n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159696
PNG
(CHEMBL3786997)
Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1/C22H21N3O3/c1-25-20-10-6-5-9-16(20)11-12-18(22(25)27)23-21(26)19-14-17(28-24-19)13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,23,26)/t18-/s2
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n/an/a 6.30n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50446274
PNG
(CHEMBL3109205)
Show SMILES COc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4O2/c1-33-23-12-6-11-22(15-23)31-27(32)30-21-10-5-9-19(13-21)25-17-29-26-24(25)14-20(16-28-26)18-7-3-2-4-8-18/h2-17H,1H3,(H,28,29)(H2,30,31,32)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...


ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233229
PNG
(CHEMBL4088857)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnc(Cc3ccccc3)o2)C1=O |r|
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n/an/a 7.90n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50159511
PNG
(CHEMBL3786162)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cccc(Oc2ccccc2)c1 |r|
Show InChI InChI=1/C22H18N2O4/c25-21(15-7-6-10-17(13-15)28-16-8-2-1-3-9-16)24-19-14-27-20-12-5-4-11-18(20)23-22(19)26/h1-13,19H,14H2,(H,23,26)(H,24,25)/t19-/s2
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n/an/a 7.90n/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)


BindingDB Entry DOI: 10.7270/Q26H4K97
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233244
PNG
(CHEMBL4068954)
Show SMILES CN1c2cc(NC(C)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
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n/an/a 7.90n/an/an/an/an/an/a



Queen Mary University of London

Curated by ChEMBL




J Med Chem 60: 1247-1261 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92NR
More data for this
Ligand-Target Pair
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