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SMILES: CN1CC[C@@H](C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1

InChI Key: InChIKey=RKNRQFWAWADSNR-SFHVURJKSA-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 2 hits for monomerid = 303911   
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 2


(Homo sapiens (Human))
BDBM303911
PNG
(N-Cyclopropyl-2-fluoro-4-methyl-5-{1-[6-((R)-1-met...)
Show SMILES CN1CC[C@@H](C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1 |r|
Show InChI InChI=1S/C26H27FN6O/c1-16-9-23(27)22(26(34)30-20-4-5-20)10-21(16)19-11-29-33(15-19)25-12-28-24-6-3-17(14-32(24)25)18-7-8-31(2)13-18/h3,6,9-12,14-15,18,20H,4-5,7-8,13H2,1-2H3,(H,30,34)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/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))
BDBM303911
PNG
(N-Cyclopropyl-2-fluoro-4-methyl-5-{1-[6-((R)-1-met...)
Show SMILES CN1CC[C@@H](C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1 |r|
Show InChI InChI=1S/C26H27FN6O/c1-16-9-23(27)22(26(34)30-20-4-5-20)10-21(16)19-11-29-33(15-19)25-12-28-24-6-3-17(14-32(24)25)18-7-8-31(2)13-18/h3,6,9-12,14-15,18,20H,4-5,7-8,13H2,1-2H3,(H,30,34)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/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