Found 228 hits with Last Name = 'swift' and Initial = 'ba' 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)) | 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
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of human RIP1 (1 to 375 residues) in presence of increasing ATP by ADP-Glo reagent based assay |
J Med Chem 59: 2163-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of Flag-tagged human RIP1 (1 to 324 residues) after 30 mins by ADP-Glo reagent based assay |
J Med Chem 59: 2163-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | 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)) | 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
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
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| 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)) | BDBM50159693
(CHEMBL3785482)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)[nH]n2)C1=O |r| Show InChI InChI=1S/C21H20N4O3/c1-25-18-9-5-6-10-19(18)28-13-17(21(25)27)22-20(26)16-12-15(23-24-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,26)(H,23,24)/t17-/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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of Flag-tagged human RIP1 (1 to 324 residues) after 30 mins by ADP-Glo reagent based assay |
J Med Chem 59: 2163-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.630 | 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)) | 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
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.630 | 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)) | 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
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay |
J Med Chem 59: 2163-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97 |
More data for this
Ligand-Target Pair | |
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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| n/a | n/a | 0.790 | 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)) | 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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| n/a | n/a | 0.790 | 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
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| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay |
J Med Chem 59: 2163-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97 |
More data for this
Ligand-Target Pair | |
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 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)) | 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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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting 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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| n/a | n/a | 1.60 | 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 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)) | 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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| n/a | n/a | 1.60 | 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 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)) | 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 human RIP1 (1 to 375 residues) after 4 hrs by ADP-Glo reagent based assay |
J Med Chem 59: 2163-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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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| n/a | n/a | 2 | 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 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 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 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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| n/a | n/a | 2.5 | 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 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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human WT RIP1 infected in HEK293T cells assessed as reduction in S166 phosphorylation by ELISA |
J Med Chem 59: 2163-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50159699
(CHEMBL3787689)Show SMILES O=C(N[C@H]1CNc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H18N4O3/c25-19(17-11-14(27-24-17)10-13-6-2-1-3-7-13)23-18-12-21-15-8-4-5-9-16(15)22-20(18)26/h1-9,11,18,21H,10,12H2,(H,22,26)(H,23,25)/t18-/m0/s1 | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay |
J Med Chem 59: 2163-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97 |
More data for this
Ligand-Target Pair | |
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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UniProtKB/TrEMBL
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| n/a | n/a | 3.20 | 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 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)) | 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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UniProtKB/TrEMBL
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting 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
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UniProtKB/TrEMBL
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UniChem
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PubMed
| n/a | n/a | 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 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)) | BDBM50233242
(CHEMBL4069959)Show SMILES CN1C[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C(=O)N(C)c2ccccc12 |r| Show InChI InChI=1S/C22H22N4O3/c1-25-14-18(22(28)26(2)20-11-7-6-10-19(20)25)23-21(27)17-13-16(29-24-17)12-15-8-4-3-5-9-15/h3-11,13,18H,12,14H2,1-2H3,(H,23,27)/t18-/m0/s1 | PDB
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UniProtKB/TrEMBL
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PubMed
| n/a | n/a | 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)) | BDBM50446264
(CHEMBL3109214)Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1)C(F)(F)F Show InChI InChI=1S/C24H16F4N6O/c25-20-5-4-16(24(26,27)28)8-21(20)34-23(35)33-17-3-1-2-13(6-17)19-12-30-22-18(19)7-14(9-29-22)15-10-31-32-11-15/h1-12H,(H,29,30)(H,31,32)(H2,33,34,35) | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting 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 | 6.30 | 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 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)) | 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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PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting 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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| n/a | n/a | 6.30 | 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 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)) | 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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CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 6.30 | 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 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)) | BDBM50446274
(CHEMBL3109205)Show SMILES COc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1 Show InChI InChI=1S/C27H22N4O2/c1-33-23-12-6-11-22(15-23)31-27(32)30-21-10-5-9-19(13-21)25-17-29-26-24(25)14-20(16-28-26)18-7-3-2-4-8-18/h2-17H,1H3,(H,28,29)(H2,30,31,32) | PDB
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PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting 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
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PubMed
| n/a | n/a | 6.30 | 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 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)) | 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
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UniProtKB/TrEMBL
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UniChem
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PubMed
| n/a | n/a | 7.90 | 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 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)) | BDBM50159511
(CHEMBL3786162)Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cccc(Oc2ccccc2)c1 |r| Show InChI InChI=1S/C22H18N2O4/c25-21(15-7-6-10-17(13-15)28-16-8-2-1-3-9-16)24-19-14-27-20-12-5-4-11-18(20)23-22(19)26/h1-13,19H,14H2,(H,23,26)(H,24,25)/t19-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human RIP1 (1 to 375 residues) after 4 hrs by ADP-Glo reagent based assay |
J Med Chem 59: 2163-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01898
BindingDB Entry DOI: 10.7270/Q26H4K97 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | 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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PC cid
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UniChem
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PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
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