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SMILES: O=C(C1CCN(CC1)C(=O)c1cc[nH]n1)N1N=CCC1c1ccccc1

InChI Key: InChIKey=GAEYWYAKLLSDJH-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50513047   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50513047
PNG
(CHEMBL4583157)
Show SMILES O=C(C1CCN(CC1)C(=O)c1cc[nH]n1)N1N=CCC1c1ccccc1 |c:18|
Show InChI InChI=1S/C19H21N5O2/c25-18(24-17(7-11-21-24)14-4-2-1-3-5-14)15-8-12-23(13-9-15)19(26)16-6-10-20-22-16/h1-6,10-11,15,17H,7-9,12-13H2,(H,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...


J Med Chem 62: 5096-5110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00318
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50513047
PNG
(CHEMBL4583157)
Show SMILES O=C(C1CCN(CC1)C(=O)c1cc[nH]n1)N1N=CCC1c1ccccc1 |c:18|
Show InChI InChI=1S/C19H21N5O2/c25-18(24-17(7-11-21-24)14-4-2-1-3-5-14)15-8-12-23(13-9-15)19(26)16-6-10-20-22-16/h1-6,10-11,15,17H,7-9,12-13H2,(H,20,22)
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 (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16...


J Med Chem 62: 5096-5110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00318
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50513047
PNG
(CHEMBL4583157)
Show SMILES O=C(C1CCN(CC1)C(=O)c1cc[nH]n1)N1N=CCC1c1ccccc1 |c:18|
Show InChI InChI=1S/C19H21N5O2/c25-18(24-17(7-11-21-24)14-4-2-1-3-5-14)15-8-12-23(13-9-15)19(26)16-6-10-20-22-16/h1-6,10-11,15,17H,7-9,12-13H2,(H,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...


J Med Chem 62: 5096-5110 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00318
More data for this
Ligand-Target Pair