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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 = 'BDBM50502340'   
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))
BDBM50502340
PNG
(CHEMBL4554676)
Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
Show InChI InChI=1S/C21H21N5O2/c1-26-17-10-6-5-9-15(17)11-12-16(21(26)28)22-20(27)19-23-18(24-25-19)13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H,22,27)(H,23,24,25)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/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
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50502340
PNG
(CHEMBL4554676)
Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
Show InChI InChI=1S/C21H21N5O2/c1-26-17-10-6-5-9-15(17)11-12-16(21(26)28)22-20(27)19-23-18(24-25-19)13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H,22,27)(H,23,24,25)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as reduction in necroptosis incubated for 24 hrs by cell titer-glo luminescent cell viability assay


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