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SMILES: CN1CCN(CC1)c1cccc(Nc2ncc3[nH]c(cc3n2)-c2ccsc2)c1

InChI Key: InChIKey=KZSALPUISKJCNC-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 2 hits for monomerid = 372158   
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))
BDBM372158
PNG
(N-(3-(4- methylpiperazin-1- yl)phenyl)-6- (thiophe...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3[nH]c(cc3n2)-c2ccsc2)c1
Show InChI InChI=1S/C21H22N6S/c1-26-6-8-27(9-7-26)17-4-2-3-16(11-17)23-21-22-13-20-19(25-21)12-18(24-20)15-5-10-28-14-15/h2-5,10-14,24H,6-9H2,1H3,(H,22,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



UNIVERSITY HEALTH NETWORK

US Patent


Assay Description
Active RIPK2 was purchased from Life Technologies as His-tagged of catalytic domain (amin acids 1-299) of human RIPK2 kinase expressed in insect cell...


US Patent US10875863 (2020)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM372158
PNG
(N-(3-(4- methylpiperazin-1- yl)phenyl)-6- (thiophe...)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3[nH]c(cc3n2)-c2ccsc2)c1
Show InChI InChI=1S/C21H22N6S/c1-26-6-8-27(9-7-26)17-4-2-3-16(11-17)23-21-22-13-20-19(25-21)12-18(24-20)15-5-10-28-14-15/h2-5,10-14,24H,6-9H2,1H3,(H,22,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



National Taiwan University



Assay Description
RIPK2 activity was measured using an indirect ELISA detection system. His—RIPK2 (0.6 nM) was incubated in the presence of 6 μM ATP (Sigma cat # ...


J Med Chem 51: 2795-806 (2008)


BindingDB Entry DOI: 10.7270/Q289186K
More data for this
Ligand-Target Pair