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SMILES: CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1

InChI Key: InChIKey=AJUHCVAZMDGWQB-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 = 354876   
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))
BDBM354876
PNG
(Preparation of 4-{5-[3-(4-acetyl-piperazine-1-carb...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C27H25N5O3/c1-17(33)31-9-11-32(12-10-31)27(35)21-4-2-3-20(13-21)22-14-23-24(16-30-26(23)29-15-22)18-5-7-19(8-6-18)25(28)34/h2-8,13-16H,9-12H2,1H3,(H2,28,34)(H,29,30)
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))
BDBM354876
PNG
(Preparation of 4-{5-[3-(4-acetyl-piperazine-1-carb...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C27H25N5O3/c1-17(33)31-9-11-32(12-10-31)27(35)21-4-2-3-20(13-21)22-14-23-24(16-30-26(23)29-15-22)18-5-7-19(8-6-18)25(28)34/h2-8,13-16H,9-12H2,1H3,(H2,28,34)(H,29,30)
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