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SMILES: COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2n1

InChI Key: InChIKey=GCGNWPOGIGTHLD-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 = 354762   
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))
BDBM354762
PNG
(Preparation of 4-(2-(4-(7-(1H-indol-5-yl)-5H-pyrro...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C27H27N5O3/c1-33-25-15-19(3-5-24(25)35-13-10-32-8-11-34-12-9-32)23-17-30-27-26(31-23)21(16-29-27)18-2-4-22-20(14-18)6-7-28-22/h2-7,14-17,28H,8-13H2,1H3,(H,29,30)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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))
BDBM354762
PNG
(Preparation of 4-(2-(4-(7-(1H-indol-5-yl)-5H-pyrro...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C27H27N5O3/c1-33-25-15-19(3-5-24(25)35-13-10-32-8-11-34-12-9-32)23-17-30-27-26(31-23)21(16-29-27)18-2-4-22-20(14-18)6-7-28-22/h2-7,14-17,28H,8-13H2,1H3,(H,29,30)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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