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BDBM303895 US10138241, Example 82-1

SMILES: C[C@@H](O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1

InChI Key: InChIKey=MSSHFHUQQPZLCQ-OAHLLOKOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 303895   
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
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303895
PNG
(US10138241, Example 82-1)
Show SMILES C[C@@H](O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C23H23N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30)/t15-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.70n/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