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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Receptor-interacting serine/threonine-protein kinase 1' and Ligand = 'BDBM50446272'   
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))
BDBM50446272
PNG
(CHEMBL3109207)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N4O/c28-23-10-9-19(27(29,30)31)13-24(23)35-26(36)34-20-8-4-7-17(11-20)22-15-33-25-21(22)12-18(14-32-25)16-5-2-1-3-6-16/h1-15H,(H,32,33)(H2,34,35,36)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 80n/an/an/an/an/an/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))
BDBM50446272
PNG
(CHEMBL3109207)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N4O/c28-23-10-9-19(27(29,30)31)13-24(23)35-26(36)34-20-8-4-7-17(11-20)22-15-33-25-21(22)12-18(14-32-25)16-5-2-1-3-6-16/h1-15H,(H,32,33)(H2,34,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 160n/an/an/an/an/an/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))
BDBM50446272
PNG
(CHEMBL3109207)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N4O/c28-23-10-9-19(27(29,30)31)13-24(23)35-26(36)34-20-8-4-7-17(11-20)22-15-33-25-21(22)12-18(14-32-25)16-5-2-1-3-6-16/h1-15H,(H,32,33)(H2,34,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/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