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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 = 'BDBM459486'   
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))
BDBM459486
PNG
(US10752635, Example 37 | US11492354, Example 37)
Show SMILES COCCn1ncc2c(N3C[C@@H](N)C[C@H]3CO)c(NC(=O)c3ccnc(n3)-c3c(F)c(C)ccc3OC)cc(F)c12 |r|
Show InChI InChI=1S/C28H31F2N7O4/c1-15-4-5-22(41-3)23(24(15)30)27-32-7-6-20(34-27)28(39)35-21-11-19(29)25-18(12-33-37(25)8-9-40-2)26(21)36-13-16(31)10-17(36)14-38/h4-7,11-12,16-17,38H,8-10,13-14,31H2,1-3H3,(H,35,39)/t16-,17-/m0/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))
BDBM459486
PNG
(US10752635, Example 37 | US11492354, Example 37)
Show SMILES COCCn1ncc2c(N3C[C@@H](N)C[C@H]3CO)c(NC(=O)c3ccnc(n3)-c3c(F)c(C)ccc3OC)cc(F)c12 |r|
Show InChI InChI=1S/C28H31F2N7O4/c1-15-4-5-22(41-3)23(24(15)30)27-32-7-6-20(34-27)28(39)35-21-11-19(29)25-18(12-33-37(25)8-9-40-2)26(21)36-13-16(31)10-17(36)14-38/h4-7,11-12,16-17,38H,8-10,13-14,31H2,1-3H3,(H,35,39)/t16-,17-/m0/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