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SMILES: COc1cc(ccc1OCCN1CCNCC1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1

InChI Key: InChIKey=BDKQHXVYBFXYNY-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420060   
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))		BDBM420060
PNG
(US10485800, Cmpd ID AJ | US10485800, Example 34)
Show SMILES COc1cc(ccc1OCCN1CCNCC1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C28H29N5O2/c1-34-27-16-19(3-5-26(27)35-13-12-33-10-8-29-9-11-33)22-15-23-24(18-32-28(23)31-17-22)20-2-4-25-21(14-20)6-7-30-25/h2-7,14-18,29-30H,8-13H2,1H3,(H,31,32)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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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