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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 2' and Ligand = 'BDBM303843'   
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 2


(Homo sapiens (Human))
BDBM303843
PNG
(US10138241, Example 29 | US11130754, Example 29)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnn2ccc(cc12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-13-26-30(15-18)23-14-27-29-10-9-20(12-22(23)29)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M61PD9
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM303843
PNG
(US10138241, Example 29 | US11130754, Example 29)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnn2ccc(cc12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-13-26-30(15-18)23-14-27-29-10-9-20(12-22(23)29)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)


BindingDB Entry DOI: 10.7270/Q2VM4FBZ
More data for this
Ligand-Target Pair