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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 kinase 1' and Ligand = 'BDBM459490'   
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 kinase 1


(Homo sapiens (Human))
BDBM459490
PNG
(US10752635, Example 41 | US11492354, Example 41)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N(C)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H27F2N7O2/c1-34(15-6-5-10-29-13-15)24-16-14-31-35(2)23(16)18(28)12-20(24)33-26(36)19-9-11-30-25(32-19)22-17(27)7-4-8-21(22)37-3/h4,7-9,11-12,14-15,29H,5-6,10,13H2,1-3H3,(H,33,36)/t15-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81HW4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM459490
PNG
(US10752635, Example 41 | US11492354, Example 41)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N(C)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C26H27F2N7O2/c1-34(15-6-5-10-29-13-15)24-16-14-31-35(2)23(16)18(28)12-20(24)33-26(36)19-9-11-30-25(32-19)22-17(27)7-4-8-21(22)37-3/h4,7-9,11-12,14-15,29H,5-6,10,13H2,1-3H3,(H,33,36)/t15-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair