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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 = 'BDBM307687'   
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))
BDBM307687
PNG
((R)-2-(6-(5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo...)
Show SMILES OC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4ccccc4C3=O)n12 |r|
Show InChI InChI=1S/C19H17N5O2/c25-11-13-8-9-17-21-22-18(24(13)17)15-6-3-7-16(20-15)23-10-12-4-1-2-5-14(12)19(23)26/h1-7,13,25H,8-11H2/t13-/m1/s1
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))
BDBM307687
PNG
((R)-2-(6-(5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo...)
Show SMILES OC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4ccccc4C3=O)n12 |r|
Show InChI InChI=1S/C19H17N5O2/c25-11-13-8-9-17-21-22-18(24(13)17)15-6-3-7-16(20-15)23-10-12-4-1-2-5-14(12)19(23)26/h1-7,13,25H,8-11H2/t13-/m1/s1
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