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BDBM354789 1-(1H-indol-5-yl)-6-(2-(4- methylpiperazin-1- yl)pyridin-4-yl)-1H- imidazo[4,5-b]pyrazin- 2(3H)-one::US10485800, Example 66::US9814704, Example 66

SMILES: CN1CCN(CC1)c1cc(ccn1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1

InChI Key: InChIKey=YIUDJPYFKOHYHD-UHFFFAOYSA-N

Data: 2 IC50

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 = 354789   
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
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354789
PNG
(1-(1H-indol-5-yl)-6-(2-(4- methylpiperazin-1- yl)p...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C23H22N8O/c1-29-8-10-30(11-9-29)20-13-16(5-7-25-20)19-14-26-21-22(27-19)31(23(32)28-21)17-2-3-18-15(12-17)4-6-24-18/h2-7,12-14,24H,8-11H2,1H3,(H,26,28,32)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



The University of Rochester; Board of Regents of the University of Nebraska

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US10485800 (2019)


BindingDB Entry DOI: 10.7270/Q22B91DW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354789
PNG
(1-(1H-indol-5-yl)-6-(2-(4- methylpiperazin-1- yl)p...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C23H22N8O/c1-29-8-10-30(11-9-29)20-13-16(5-7-25-20)19-14-26-21-22(27-19)31(23(32)28-21)17-2-3-18-15(12-17)4-6-24-18/h2-7,12-14,24H,8-11H2,1H3,(H,26,28,32)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair