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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 12' and Ligand = 'BDBM289473'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289473
PNG
(5-(2-(sec-butyl)-1-(3- morpholinobicyclo- [1.1.1]p...)
Show SMILES CCC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1S/C22H28F3N5O2/c1-3-14(2)19-28-16(15-8-17(18(26)27-9-15)32-22(23,24)25)10-30(19)21-11-20(12-21,13-21)29-4-6-31-7-5-29/h8-10,14H,3-7,11-13H2,1-2H3,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 21n/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289473
PNG
(5-(2-(sec-butyl)-1-(3- morpholinobicyclo- [1.1.1]p...)
Show SMILES CCC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1S/C22H28F3N5O2/c1-3-14(2)19-28-16(15-8-17(18(26)27-9-15)32-22(23,24)25)10-30(19)21-11-20(12-21,13-21)29-4-6-31-7-5-29/h8-10,14H,3-7,11-13H2,1-2H3,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 8.60n/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair