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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 504.5
BDBM50528224

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM50528224
PNG
(CHEMBL4548552)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3)ccc2F)c1
Show InChI InChI=1S/C26H21FN4O4S/c1-14(32)16-3-2-4-17(11-16)28-25(34)29-22-12-18(7-9-20(22)27)35-19-8-10-21-23(13-19)36-26(30-21)31-24(33)15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,28,29,34)(H,30,31,33)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>5.00E+3n/an/an/an/an/a



Ningxia Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system after 1 hr by quantitative PC...


J Med Chem 62: 6665-6681 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00611
BindingDB Entry DOI: 10.7270/Q27D2ZMB
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50528224
PNG
(CHEMBL4548552)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3)ccc2F)c1
Show InChI InChI=1S/C26H21FN4O4S/c1-14(32)16-3-2-4-17(11-16)28-25(34)29-22-12-18(7-9-20(22)27)35-19-8-10-21-23(13-19)36-26(30-21)31-24(33)15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,28,29,34)(H,30,31,33)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 53n/an/an/an/an/a



Ningxia Medical University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length RIPK3 (M1 to Q307 residues) expressed in bacterial expression system after 1 hr by quantitative PC...


J Med Chem 62: 6665-6681 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00611
BindingDB Entry DOI: 10.7270/Q27D2ZMB
More data for this
Ligand-Target Pair