Found 321 hits with Last Name = 'sun' and Initial = 'hh' 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 |
|---|
Protein kinase C zeta type
(Rattus norvegicus) | BDBM50478562
(CHEMBL502491)Show SMILES [H][C@]12[C@]3([H])C=C(CO)C[C@]4(OC)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@]1(OC(C)=O)C2(C)C |r,c:15,t:4| Show InChI InChI=1S/C37H58O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-30(40)44-33-25(3)36(42)28(31-34(5,6)37(31,33)45-26(4)39)21-27(23-38)22-35(43-7)29(36)20-24(2)32(35)41/h20-21,25,28-29,31,33,38,42H,8-19,22-23H2,1-7H3/t25-,28+,29-,31-,33-,35-,36-,37-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Research Group
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled PDBU from PKC in rat forebrain |
J Nat Prod 54: 1440-3
Article DOI: 10.1021/np50077a040
BindingDB Entry DOI: 10.7270/Q2377CGF |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50292436
(CHEMBL515179 | spiroquinazoline)Show SMILES C[C@@]12NC(=O)[C@@H](C[C@]11[C@H]3NCC(=O)N3c3ccccc13)n1c2nc2ccccc2c1=O |r,TLB:19:7:21.20:3.2,THB:8:7:21.20:3.2,22:21:3.2:7.6,4:3:21.20:7.6| Show InChI InChI=1S/C23H19N5O3/c1-22-20-25-14-8-4-2-6-12(14)19(31)28(20)16(18(30)26-22)10-23(22)13-7-3-5-9-15(13)27-17(29)11-24-21(23)27/h2-9,16,21,24H,10-11H2,1H3,(H,26,30)/t16-,21+,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from NK1 receptor in human astrocytoma cells |
J Nat Prod 57: 471-476 (1994)
Article DOI: 10.1021/np50106a005
BindingDB Entry DOI: 10.7270/Q2Q2408X |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50292437
(CHEMBL480101 | acyl aszonalenin)Show SMILES CC(=O)N1[C@H]2N3[C@@H](C[C@]2(c2ccccc12)C(C)(C)C=C)C(=O)Nc1ccccc1C3=O |r| Show InChI InChI=1S/C25H25N3O3/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)28(20)23(25)27(15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from NK1 receptor in human astrocytoma cells |
J Nat Prod 57: 471-476 (1994)
Article DOI: 10.1021/np50106a005
BindingDB Entry DOI: 10.7270/Q2Q2408X |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233227
(CHEMBL4067372)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)C1=O |r| Show InChI InChI=1S/C21H19N3O4/c1-24-17-9-5-6-10-18(17)27-13-16(21(24)26)23-19(25)20-22-12-15(28-20)11-14-7-3-2-4-8-14/h2-10,12,16H,11,13H2,1H3,(H,23,25)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50159697
(CHEMBL3785745)Show SMILES CN1c2ccccc2SC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0630 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233256
(CHEMBL4093220)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnn(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C19H18N6O3/c1-24-15-9-5-6-10-16(15)28-12-14(19(24)27)20-18(26)17-21-23-25(22-17)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,20,26)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50159696
(CHEMBL3786997)Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233248
(CHEMBL4096224)Show SMILES COC(=O)Nc1ccc2OC[C@H](NC(=O)c3cc(Cc4ccccc4)on3)C(=O)N(C)c2c1 |r| Show InChI InChI=1S/C23H22N4O6/c1-27-19-11-15(24-23(30)31-2)8-9-20(19)32-13-18(22(27)29)25-21(28)17-12-16(33-26-17)10-14-6-4-3-5-7-14/h3-9,11-12,18H,10,13H2,1-2H3,(H,24,30)(H,25,28)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233244
(CHEMBL4068954)Show SMILES CN1c2cc(NC(C)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C23H22N4O5/c1-14(28)24-16-8-9-21-20(11-16)27(2)23(30)19(13-31-21)25-22(29)18-12-17(32-26-18)10-15-6-4-3-5-7-15/h3-9,11-12,19H,10,13H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50502339
(CHEMBL4452233)Show SMILES Fc1cc(F)c2NC(=O)[C@H](CCc2c1)NC(=O)c1n[nH]c(Cc2ccccc2)n1 |r| Show InChI InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIP1 in human neutrophils assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated MIP-1 beta cytokine overproduction measured at... |
ACS Med Chem Lett 10: 857-862 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00108
BindingDB Entry DOI: 10.7270/Q2VT1WB8 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233255
(CHEMBL4069318)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)cn2)C1=O |r| Show InChI InChI=1S/C21H20N4O3/c1-24-18-9-5-6-10-19(18)28-13-17(21(24)27)23-20(26)16-12-25(14-22-16)11-15-7-3-2-4-8-15/h2-10,12,14,17H,11,13H2,1H3,(H,23,26)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50502339
(CHEMBL4452233)Show SMILES Fc1cc(F)c2NC(=O)[C@H](CCc2c1)NC(=O)c1n[nH]c(Cc2ccccc2)n1 |r| Show InChI InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIP1 in human neutrophils assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated MIP-1 beta mRNA overexpression measured at 21 ... |
ACS Med Chem Lett 10: 857-862 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00108
BindingDB Entry DOI: 10.7270/Q2VT1WB8 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233228
(CHEMBL4060644)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)n(C)n2)C1=O |r| Show InChI InChI=1S/C22H22N4O3/c1-25-19-10-6-7-11-20(19)29-14-18(22(25)28)23-21(27)17-13-16(26(2)24-17)12-15-8-4-3-5-9-15/h3-11,13,18H,12,14H2,1-2H3,(H,23,27)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
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
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen Mary University of London
Curated by ChEMBL
| Assay Description
Inhibition of RIP1 in human primary neutrophils assessed as reduction in TNFalpha/QCD-OPh/SMAC mimetic RMT 5265-induced necroptosis at 21 hrs post-st... |
J Med Chem 60: 1247-1261 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
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
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen Mary University of London
Curated by ChEMBL
| Assay Description
Inhibition of RIP1 in human primary neutrophils assessed as reduction in TNFalpha/QCD-OPh/SMAC mimetic RMT 5265-MIP-1beta production at 21 hrs post-s... |
J Med Chem 60: 1247-1261 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233226
(CHEMBL4089558)Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1n[nH]c(=O)o1 |r| Show InChI InChI=1S/C23H19N5O6/c1-28-18-10-14(21-25-26-23(31)33-21)7-8-19(18)32-12-17(22(28)30)24-20(29)16-11-15(34-27-16)9-13-5-3-2-4-6-13/h2-8,10-11,17H,9,12H2,1H3,(H,24,29)(H,26,31)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233230
(CHEMBL4099004)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2noc(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H18N4O4/c1-24-15-9-5-6-10-16(15)27-12-14(20(24)26)21-19(25)18-22-17(28-23-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,25)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50502339
(CHEMBL4452233)Show SMILES Fc1cc(F)c2NC(=O)[C@H](CCc2c1)NC(=O)c1n[nH]c(Cc2ccccc2)n1 |r| Show InChI InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIP1 in human neutrophils assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated necroptosis by measuring LDH release measured ... |
ACS Med Chem Lett 10: 857-862 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00108
BindingDB Entry DOI: 10.7270/Q2VT1WB8 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233240
(CHEMBL4065561)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H19N5O3/c1-24-16-9-5-6-10-17(16)28-12-15(20(24)27)22-19(26)18-21-13-25(23-18)11-14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,22,26)/t15-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233249
(CHEMBL4081685)Show SMILES CN1c2cc(NS(C)(=O)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C22H22N4O6S/c1-26-19-11-15(25-33(2,29)30)8-9-20(19)31-13-18(22(26)28)23-21(27)17-12-16(32-24-17)10-14-6-4-3-5-7-14/h3-9,11-12,18,25H,10,13H2,1-2H3,(H,23,27)/t18-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50159508
(CHEMBL3786078)Show SMILES CN1c2ccccc2NC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233229
(CHEMBL4088857)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnc(Cc3ccccc3)o2)C1=O |r| Show InChI InChI=1S/C20H18N4O4/c1-24-15-9-5-6-10-16(15)27-12-14(20(24)26)21-18(25)19-23-22-17(28-19)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,25)/t14-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
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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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of pDEST8HisGSTTev-tagged human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated with enzyme for 1 hr ... |
ACS Med Chem Lett 10: 857-862 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00108
BindingDB Entry DOI: 10.7270/Q2VT1WB8 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233227
(CHEMBL4067372)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)C1=O |r| Show InChI InChI=1S/C21H19N3O4/c1-24-17-9-5-6-10-18(17)27-13-16(21(24)26)23-19(25)20-22-12-15(28-20)11-14-7-3-2-4-8-14/h2-10,12,16H,11,13H2,1H3,(H,23,25)/t16-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233252
(CHEMBL4080978)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)nn2)C1=O |r| Show InChI InChI=1S/C20H19N5O3/c1-24-17-9-5-6-10-18(17)28-13-16(20(24)27)21-19(26)15-12-25(23-22-15)11-14-7-3-2-4-8-14/h2-10,12,16H,11,13H2,1H3,(H,21,26)/t16-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233250
(CHEMBL4099698)Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1cc[nH]n1 |r| Show InChI InChI=1S/C24H21N5O4/c1-29-21-12-16(18-9-10-25-27-18)7-8-22(21)32-14-20(24(29)31)26-23(30)19-13-17(33-28-19)11-15-5-3-2-4-6-15/h2-10,12-13,20H,11,14H2,1H3,(H,25,27)(H,26,30)/t20-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
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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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467984
(CHEMBL4293287)Show SMILES COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446266
(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) | PDB
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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 serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50502339
(CHEMBL4452233)Show SMILES Fc1cc(F)c2NC(=O)[C@H](CCc2c1)NC(=O)c1n[nH]c(Cc2ccccc2)n1 |r| Show InChI InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIP1 in human neutrophils assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated necroptosis by measuring cellular ATP levels m... |
ACS Med Chem Lett 10: 857-862 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00108
BindingDB Entry DOI: 10.7270/Q2VT1WB8 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233240
(CHEMBL4065561)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H19N5O3/c1-24-16-9-5-6-10-17(16)28-12-15(20(24)27)22-19(26)18-21-13-25(23-18)11-14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,22,26)/t15-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50159507
(CHEMBL3785703)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of pDEST8HisGSTTev-tagged human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated with enzyme for 1 hr ... |
ACS Med Chem Lett 10: 857-862 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00108
BindingDB Entry DOI: 10.7270/Q2VT1WB8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467989
(CHEMBL4282034)Show SMILES CCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H26N4O3S/c1-7-27-17-11-16-14(10-18(17)28(25,26)20(4,5)6)15(8-9-21-16)22-19-12(2)13(3)23-24-19/h8-11H,7H2,1-6H3,(H2,21,22,23,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
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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Queen Mary University of London
Curated by ChEMBL
| Assay Description
Inhibition of RIP1 in human primary neutrophils assessed as reduction in TNFalpha/QCD-OPh/SMAC mimetic RMT 5265-induced necroptosis by measuring cell... |
J Med Chem 60: 1247-1261 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
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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Queen Mary University of London
Curated by ChEMBL
| Assay Description
Inhibition of RIP1 in human whole blood assessed as reduction in TNFalpha/QCD-OPh/zVAD FMK/SMAC mimetic RMT 5265-MIP-1beta production after 6 hrs by ... |
J Med Chem 60: 1247-1261 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01751
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50159697
(CHEMBL3785745)Show SMILES CN1c2ccccc2SC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Rattus norvegicus) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labelled ligand binding to rat RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measured... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Rattus norvegicus) | BDBM50184765
(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) | PDB
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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)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length FLAG/His-tagged RIP2 measured after 2 hrs by ADP-Glo luminescence assay |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233241
(CHEMBL4071080)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)ccn2)C1=O |r| Show InChI InChI=1S/C23H21N3O3/c1-26-20-9-5-6-10-21(20)29-15-19(23(26)28)25-22(27)18-14-17(11-12-24-18)13-16-7-3-2-4-8-16/h2-12,14,19H,13,15H2,1H3,(H,25,27)/t19-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467980
(CHEMBL4292228)Show SMILES COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C21H28N4O4S/c1-13-14(2)24-25-20(13)23-16-7-8-22-17-12-18(29-10-9-28-6)19(11-15(16)17)30(26,27)21(3,4)5/h7-8,11-12H,9-10H2,1-6H3,(H2,22,23,24,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467986
(CHEMBL4289904)Show SMILES Cc1[nH]nc(Nc2ccnc3cc(OCCO)c(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C20H26N4O4S/c1-12-13(2)23-24-19(12)22-15-6-7-21-16-11-17(28-9-8-25)18(10-14(15)16)29(26,27)20(3,4)5/h6-7,10-11,25H,8-9H2,1-5H3,(H2,21,22,23,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467979
(CHEMBL4285837)Show SMILES CCc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H26N4O2S/c1-7-14-10-17-15(11-18(14)27(25,26)20(4,5)6)16(8-9-21-17)22-19-12(2)13(3)23-24-19/h8-11H,7H2,1-6H3,(H2,21,22,23,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233256
(CHEMBL4093220)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnn(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C19H18N6O3/c1-24-15-9-5-6-10-16(15)28-12-14(19(24)27)20-18(26)17-21-23-25(22-17)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,20,26)/t14-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)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) | PDB
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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)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)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) | PDB
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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)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233226
(CHEMBL4089558)Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1n[nH]c(=O)o1 |r| Show InChI InChI=1S/C23H19N5O6/c1-28-18-10-14(21-25-26-23(31)33-21)7-8-19(18)32-12-17(22(28)30)24-20(29)16-11-15(34-27-16)9-13-5-3-2-4-6-13/h2-8,10-11,17H,9,12H2,1H3,(H,24,29)(H,26,31)/t17-/m0/s1 | PDB
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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
BindingDB Entry DOI: 10.7270/Q2SQ92NR |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446270
(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) | PDB
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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 serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50516676
(CHEMBL4473105)Show SMILES COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H20N4O3S2/c1-20(2,3)29(25,26)18-8-13-14(9-16(18)27-4)21-10-22-19(13)24-12-5-6-17-15(7-12)23-11-28-17/h5-11H,1-4H3,(H,21,22,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labelled ligand binding to human RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measur... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446269
(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) | PDB
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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 | |
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