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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.3
BDBM289425
Wt: 364.3
BDBM289484

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM289484
PNG
((4-(6-amino-5-(trifluoro- methyl)pyridin-3- yl)-1-...)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)C(O)C1CC1)C12CC(C1)C2
Show InChI InChI=1S/C18H19F3N4O/c19-18(20,21)12-3-11(7-23-15(12)22)13-8-25(17-4-9(5-17)6-17)16(24-13)14(26)10-1-2-10/h3,7-10,14,26H,1-2,4-6H2,(H2,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 2.40n/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))
BDBM289425
PNG
((R)-(4-(6-amino-5-(trifluoromethyl)pyridin-3-yl)-1...)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)[C@H](O)C1CC1)C12CC(C1)C2 |r|
Show InChI InChI=1S/C18H19F3N4O/c19-18(20,21)12-3-11(7-23-15(12)22)13-8-25(17-4-9(5-17)6-17)16(24-13)14(26)10-1-2-10/h3,7-10,14,26H,1-2,4-6H2,(H2,22,23)/t9?,14-,17?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 2.30n/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