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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor-interacting serine/threonine-protein kinase 1' and Ligand = 'BDBM50233226'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50233226
PNG
(CHEMBL4089558)
Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1n[nH]c(=O)o1 |r|
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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PC sid
UniChem

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Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/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
PNG
(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

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/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