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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'reilly' and Initial = 'ma'   
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
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
BDBM50233252
PNG
(CHEMBL4080978)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)nn2)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))
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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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))
BDBM50233227
PNG
(CHEMBL4067372)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)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))
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))
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 serine/threonine-protein kinase 2


(Rattus norvegicus)
BDBM50184765
PNG
(CHEMBL3823499)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat RIPK2 preincubated for 10 mins followed by addition of fluorescent-labeled 2-Methyl-5-(2-propen-l-yloxy)aniline measured after 10 m...


J Med Chem 59: 4867-80 (2016)


BindingDB Entry DOI: 10.7270/Q2G162SQ
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
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM25198
PNG
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM25198
PNG
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50184765
PNG
(CHEMBL3823499)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


BindingDB Entry DOI: 10.7270/Q2G162SQ
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))
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
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50184479
PNG
(CHEMBL3822791)
Show SMILES CS(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1
Show InChI InChI=1S/C17H13N3O2S2/c1-24(21,22)12-3-4-14-13(9-12)15(6-7-18-14)20-11-2-5-17-16(8-11)19-10-23-17/h2-10H,1H3,(H,18,20)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


BindingDB Entry DOI: 10.7270/Q2G162SQ
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))
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
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50184727
PNG
(CHEMBL3822938)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O/c1-10-2-4-12(23)9-16(10)22-15-6-7-21-14-5-3-11(8-13(14)15)17(18,19)20/h2-9,23H,1H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM25195
PNG
(4-methyl-3-{[6-(pyridin-3-yl)quinolin-4-yl]amino}p...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C21H17N3O/c1-14-4-6-17(25)12-21(14)24-20-8-10-23-19-7-5-15(11-18(19)20)16-3-2-9-22-13-16/h2-13,25H,1H3,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50184764
PNG
(CHEMBL3822577)
Show SMILES CC(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Show InChI InChI=1S/C19H17FN4O2S/c1-11(2)27(25,26)13-4-6-16-14(10-13)17(7-8-21-16)22-19-15-9-12(20)3-5-18(15)23-24-19/h3-11H,1-2H3,(H2,21,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll...


J Med Chem 59: 4867-80 (2016)


BindingDB Entry DOI: 10.7270/Q2G162SQ
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 10n/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))
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 10n/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 13n/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))
BDBM50159512
PNG
(CHEMBL3786293)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r|
Show InChI InChI=1/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-/s2
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n/an/a 16n/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 16n/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 serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50184765
PNG
(CHEMBL3823499)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIPK3 (unknown origin) preincubated for 10 mins followed by addition of fluorescent-labeled 2-Methyl-5-(2-propen-l-yloxy)aniline measur...


J Med Chem 59: 4867-80 (2016)


BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50184765
PNG
(CHEMBL3823499)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP2K in MDP-stimulated HEK-293 cells over-expressing NOD2 assessed as IL8 secretion


J Med Chem 59: 4867-80 (2016)


BindingDB Entry DOI: 10.7270/Q2G162SQ
More data for this
Ligand-Target Pair
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