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BDBM354802 1-(cyclopropylmethyl)-6- (3,4-dimethoxyphenyl)-1H- imidazo[4,5-b]pyrazin- 2(3H)-one::US10485800, Example 79::US9814704, Example 79

SMILES: COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1

InChI Key: InChIKey=WIZPOOKPFGKRAN-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 = 354802   
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))
BDBM354802
PNG
(1-(cyclopropylmethyl)-6- (3,4-dimethoxyphenyl)-1H-...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Show InChI InChI=1S/C17H18N4O3/c1-23-13-6-5-11(7-14(13)24-2)12-8-18-15-16(19-12)21(17(22)20-15)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,18,20,22)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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))
BDBM354802
PNG
(1-(cyclopropylmethyl)-6- (3,4-dimethoxyphenyl)-1H-...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Show InChI InChI=1S/C17H18N4O3/c1-23-13-6-5-11(7-14(13)24-2)12-8-18-15-16(19-12)21(17(22)20-15)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,18,20,22)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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