Found 7019 hits Enz. Inhib. hit(s) with Target = 'Receptor-interacting serine/threonine-protein kinase 1' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50597348
(CHEMBL5177284)Show SMILES Cc1ccc(-c2cn([C@@H]3CC[C@H](N)CC3)c3ncnc(N)c23)c(F)c1 |r,wU:8.7,11.11,(2.17,7.19,;1.77,5.71,;.28,5.31,;-.11,3.82,;.97,2.74,;.58,1.25,;1.48,0,;.58,-1.24,;.97,-2.73,;-.11,-3.82,;.28,-5.31,;1.77,-5.71,;2.17,-7.19,;2.86,-4.62,;2.46,-3.13,;-.89,-.77,;-2.22,-1.54,;-3.56,-.77,;-3.56,.77,;-2.22,1.54,;-2.22,3.08,;-.89,.77,;2.47,3.14,;3.56,2.05,;2.86,4.62,)| | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00604
BindingDB Entry DOI: 10.7270/Q2K93CK9 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50466038
(CHEMBL4281823)Show SMILES CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31) | PDB
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| n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system by Kinomescan method |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50588538
(CHEMBL5173571)Show SMILES Fc1ccc(Oc2cc3nc(NC(=O)C4CCC(=O)CC4)sc3cc2F)cc1NC(=O)Cc1cccc(OC(F)(F)F)c1 | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01478
BindingDB Entry DOI: 10.7270/Q2MK6HVR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50588536
(CHEMBL5172295)Show SMILES Fc1ccc(Oc2cc3nc(NC(=O)C4CC(=O)C4)sc3cc2F)cc1NC(=O)Cc1cccc(OC(F)(F)F)c1 | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01478
BindingDB Entry DOI: 10.7270/Q2MK6HVR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50585442
(CHEMBL5083542)Show SMILES Cc1ncc(cc1NC(=O)OC1CCOCC1)-c1ccc2nc(NC(=O)C3CC3)sc2c1 | PDB
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| n/a | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system measured after 1 hr by Kinome... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114036
BindingDB Entry DOI: 10.7270/Q2FB56T7 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50588537
(CHEMBL5185667)Show SMILES Fc1ccc(Oc2cc3nc(NC(=O)C4CCC(=O)C4)sc3cc2F)cc1NC(=O)Cc1cccc(OC(F)(F)F)c1 | PDB
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| PC cid
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| n/a | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01478
BindingDB Entry DOI: 10.7270/Q2MK6HVR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50588535
(CHEMBL5171828)Show SMILES Fc1ccc(Oc2cc3nc(NC(=O)C4CCOC4)sc3cc2F)cc1NC(=O)Cc1cccc(OC(F)(F)F)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01478
BindingDB Entry DOI: 10.7270/Q2MK6HVR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50588540
(CHEMBL5189581)Show SMILES FC1CC1C(=O)Nc1nc2cc(Oc3ccc(F)c(NC(=O)Cc4cccc(OC(F)(F)F)c4)c3)c(F)cc2s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01478
BindingDB Entry DOI: 10.7270/Q2MK6HVR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM5828
(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)Show SMILES CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C25H21F4N7O3S/c1-36(22-11-12-31-23(35-22)32-17-3-2-4-19(14-17)40(30,38)39)18-8-6-16(7-9-18)33-24(37)34-21-13-15(25(27,28)29)5-10-20(21)26/h2-14H,1H3,(H2,30,38,39)(H,31,32,35)(H2,33,34,37) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01518
BindingDB Entry DOI: 10.7270/Q2QC07MW |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2JM280V |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50004205
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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Laboratory of Medicinal Chemistry , University of Antwerp , Universiteitsplein 1 , Wilrijk-Antwerp 2610 , Belgium.
Curated by ChEMBL
| Assay Description
Binding affinity to RIPK1 (unknown origin) |
J Med Chem 61: 1895-1920 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01449
BindingDB Entry DOI: 10.7270/Q2930WNQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for RIPK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for RIPK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50588539
(CHEMBL5179151)Show SMILES CC1(C)CC1C(=O)Nc1nc2cc(Oc3ccc(F)c(NC(=O)Cc4cccc(OC(F)(F)F)c4)c3)c(F)cc2s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01478
BindingDB Entry DOI: 10.7270/Q2MK6HVR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50600288
(CHEMBL4871408)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=S |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114345
BindingDB Entry DOI: 10.7270/Q2CN77ZP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50600289
(CHEMBL5188220)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nc(Cc3ccccc3)n(C)n2)C1=S |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114345
BindingDB Entry DOI: 10.7270/Q2CN77ZP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233225
(CHEMBL4071864)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114345
BindingDB Entry DOI: 10.7270/Q2CN77ZP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50588534
(CHEMBL5189681)Show SMILES Fc1ccc(Oc2cc3nc(NC(=O)C4CC4)sc3cc2F)cc1NC(=O)Cc1cccc(OC(F)(F)F)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01478
BindingDB Entry DOI: 10.7270/Q2MK6HVR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50528236
(CHEMBL4439346)Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)Cc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C26H19F4N3O4S/c27-19-8-6-16(12-21(19)31-23(34)11-14-2-1-3-18(10-14)37-26(28,29)30)36-17-7-9-20-22(13-17)38-25(32-20)33-24(35)15-4-5-15/h1-3,6-10,12-13,15H,4-5,11H2,(H,31,34)(H,32,33,35) | PDB
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Ningxia Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system after 1 hr by quantitative PC... |
J Med Chem 62: 6665-6681 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00611
BindingDB Entry DOI: 10.7270/Q27D2ZMB |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50600291
(CHEMBL5180233)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nc(Cc3ccccc3)n(CCF)n2)C1=S |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114345
BindingDB Entry DOI: 10.7270/Q2CN77ZP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50355496
(CHEMBL1908397)Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01518
BindingDB Entry DOI: 10.7270/Q2QC07MW |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM5832
(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)Show SMILES CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36) | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01518
BindingDB Entry DOI: 10.7270/Q2QC07MW |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50355496
(CHEMBL1908397)Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for RIPK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50602055
(CHEMBL5182551) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01518
BindingDB Entry DOI: 10.7270/Q2QC07MW |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50600290
(CHEMBL5177347)Show SMILES CCn1nc(nc1Cc1ccccc1)C(=O)N[C@H]1COc2ccccc2N(C)C1=S |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114345
BindingDB Entry DOI: 10.7270/Q2CN77ZP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50528231
(CHEMBL4540715)Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H19F4N3O3S/c27-19-8-6-17(12-21(19)31-23(34)11-14-2-1-3-16(10-14)26(28,29)30)36-18-7-9-20-22(13-18)37-25(32-20)33-24(35)15-4-5-15/h1-3,6-10,12-13,15H,4-5,11H2,(H,31,34)(H,32,33,35) | PDB
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TBA
| Assay Description
Inhibition of human wild type RIPK1 (M1 to K305) expressed in bacterial system by kinomescan assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128084
BindingDB Entry DOI: 10.7270/Q2XD15FD |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50588533
(CHEMBL5205822)Show SMILES Fc1ccc(Oc2cc3nc(NC(=O)C4CC4)sc3cc2F)cc1NC(=O)Cc1cccc(c1)C(F)(F)F | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01478
BindingDB Entry DOI: 10.7270/Q2MK6HVR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50528231
(CHEMBL4540715)Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H19F4N3O3S/c27-19-8-6-17(12-21(19)31-23(34)11-14-2-1-3-16(10-14)26(28,29)30)36-18-7-9-20-22(13-18)37-25(32-20)33-24(35)15-4-5-15/h1-3,6-10,12-13,15H,4-5,11H2,(H,31,34)(H,32,33,35) | PDB
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Ningxia Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system after 1 hr by quantitative PC... |
J Med Chem 62: 6665-6681 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00611
BindingDB Entry DOI: 10.7270/Q27D2ZMB |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50355496
(CHEMBL1908397)Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01518
BindingDB Entry DOI: 10.7270/Q2QC07MW |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50528231
(CHEMBL4540715)Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H19F4N3O3S/c27-19-8-6-17(12-21(19)31-23(34)11-14-2-1-3-16(10-14)26(28,29)30)36-18-7-9-20-22(13-18)37-25(32-20)33-24(35)15-4-5-15/h1-3,6-10,12-13,15H,4-5,11H2,(H,31,34)(H,32,33,35) | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01518
BindingDB Entry DOI: 10.7270/Q2QC07MW |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50519651
(CHEMBL4534082)Show SMILES COc1cc(O)c2C(=O)CC(O)(Oc2c1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C23H20O6/c1-27-18-11-19(24)22-20(25)13-23(26,29-21(22)12-18)16-7-9-17(10-8-16)28-14-15-5-3-2-4-6-15/h2-12,24,26H,13-14H2,1H3 | PDB
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Fudan University
Curated by ChEMBL
| Assay Description
Binding affinity to human RIPK1 by kinome scan based method |
J Med Chem 63: 1490-1510 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01317
BindingDB Entry DOI: 10.7270/Q20K2CZB |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50519651
(CHEMBL4534082)Show SMILES COc1cc(O)c2C(=O)CC(O)(Oc2c1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C23H20O6/c1-27-18-11-19(24)22-20(25)13-23(26,29-21(22)12-18)16-7-9-17(10-8-16)28-14-15-5-3-2-4-6-15/h2-12,24,26H,13-14H2,1H3 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01518
BindingDB Entry DOI: 10.7270/Q2QC07MW |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2JM280V |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01518
BindingDB Entry DOI: 10.7270/Q2QC07MW |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for RIPK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for RIPK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50519641
(CHEMBL4439426)Show InChI InChI=1S/C13H10N2O/c16-11-5-3-9(4-6-11)12-8-10-2-1-7-14-13(10)15-12/h1-8,16H,(H,14,15) | PDB
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Fudan University
Curated by ChEMBL
| Assay Description
Binding affinity to human RIPK1 by kinome scan based method |
J Med Chem 63: 1490-1510 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01317
BindingDB Entry DOI: 10.7270/Q20K2CZB |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50519641
(CHEMBL4439426)Show InChI InChI=1S/C13H10N2O/c16-11-5-3-9(4-6-11)12-8-10-2-1-7-14-13(10)15-12/h1-8,16H,(H,14,15) | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01518
BindingDB Entry DOI: 10.7270/Q2QC07MW |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50528223
(CHEMBL4575736)Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)Cc1cccc(n1)C(F)(F)F Show InChI InChI=1S/C25H18F4N4O3S/c26-17-8-6-15(11-19(17)31-22(34)10-14-2-1-3-21(30-14)25(27,28)29)36-16-7-9-18-20(12-16)37-24(32-18)33-23(35)13-4-5-13/h1-3,6-9,11-13H,4-5,10H2,(H,31,34)(H,32,33,35) | PDB
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Ningxia Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system after 1 hr by quantitative PC... |
J Med Chem 62: 6665-6681 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00611
BindingDB Entry DOI: 10.7270/Q27D2ZMB |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50602057
(CHEMBL1908842 | JNJ-28312141)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1 |t:31| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01518
BindingDB Entry DOI: 10.7270/Q2QC07MW |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50528227
(CHEMBL4464579)Show SMILES COc1cccc(CC(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3)ccc2F)c1 Show InChI InChI=1S/C26H22FN3O4S/c1-33-17-4-2-3-15(11-17)12-24(31)28-22-13-18(7-9-20(22)27)34-19-8-10-21-23(14-19)35-26(29-21)30-25(32)16-5-6-16/h2-4,7-11,13-14,16H,5-6,12H2,1H3,(H,28,31)(H,29,30,32) | PDB
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Ningxia Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system after 1 hr by quantitative PC... |
J Med Chem 62: 6665-6681 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00611
BindingDB Entry DOI: 10.7270/Q27D2ZMB |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50355499
(CHEMBL1908395 | CHEMBL1908842)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31| Show InChI InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for RIPK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50026612
(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for RIPK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
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PubMed
| n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for RIPK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
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| n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2JM280V |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
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PubMed
| n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for RIPK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50600292
(CHEMBL5181292)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nc(Cc3ccccc3)n(CC(F)(F)F)n2)C1=S |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114345
BindingDB Entry DOI: 10.7270/Q2CN77ZP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50600294
(CHEMBL5181126)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nc(Cc3ccccc3)n(n2)C2CCOC2)C1=S |r| | PDB
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| n/a | n/a | n/a | 272 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114345
BindingDB Entry DOI: 10.7270/Q2CN77ZP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50600293
(CHEMBL5183211)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nc(Cc3ccccc3)n(n2)C2CCC2)C1=S |r| | PDB
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| PC cid
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114345
BindingDB Entry DOI: 10.7270/Q2CN77ZP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50528226
(CHEMBL4444744)Show SMILES Cc1cccc(CC(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3)ccc2F)c1 Show InChI InChI=1S/C26H22FN3O3S/c1-15-3-2-4-16(11-15)12-24(31)28-22-13-18(7-9-20(22)27)33-19-8-10-21-23(14-19)34-26(29-21)30-25(32)17-5-6-17/h2-4,7-11,13-14,17H,5-6,12H2,1H3,(H,28,31)(H,29,30,32) | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a |
Ningxia Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system after 1 hr by quantitative PC... |
J Med Chem 62: 6665-6681 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00611
BindingDB Entry DOI: 10.7270/Q27D2ZMB |
More data for this
Ligand-Target Pair | |
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