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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 5' and Ligand = 'BDBM307678'   
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 5


(Homo sapiens (Human))
BDBM307678
PNG
(2-(6-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)pyridin-...)
Show SMILES COC(=O)c1cc2CN(C(=O)c2cc1-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C25H20N6O3/c1-34-25(33)20-10-16-13-30(24(32)19(16)11-18(20)15-4-3-9-26-12-15)22-6-2-5-21(28-22)23-29-27-14-31(23)17-7-8-17/h2-6,9-12,14,17H,7-8,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<200n/an/an/an/an/an/an/an/a



SEAL ROCK THERAPEUTICS, INC.

US Patent


Assay Description
The ASK1 enzymatic assay was run following Promega ASK1 Kinase Enzyme System (Cat #V3881). The kit provides the protocol, enzymes and all reagents ne...


US Patent US10150755 (2018)


BindingDB Entry DOI: 10.7270/Q2125VQ8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM307678
PNG
(2-(6-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)pyridin-...)
Show SMILES COC(=O)c1cc2CN(C(=O)c2cc1-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C25H20N6O3/c1-34-25(33)20-10-16-13-30(24(32)19(16)11-18(20)15-4-3-9-26-12-15)22-6-2-5-21(28-22)23-29-27-14-31(23)17-7-8-17/h2-6,9-12,14,17H,7-8,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<200n/an/an/an/an/an/a



SEAL ROCK THERAPEUTICS, INC.

US Patent


Assay Description
The ASK1 enzymatic assay was run following Promega ASK1 Kinase Enzyme System (Cat #V3881). The kit provides the protocol, enzymes and all reagents ne...


US Patent US10150755 (2018)


BindingDB Entry DOI: 10.7270/Q27P91GS
More data for this
Ligand-Target Pair