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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 = 'BDBM307616'   
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))
BDBM307616
PNG
(N-cyclopropyl-2-(6- (4-cyclopropyl-4H- 1,2,4-triaz...)
Show SMILES O=C(NC1CC1)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C22H20N6O2/c29-21(24-15-5-6-15)13-4-9-17-14(10-13)11-27(22(17)30)19-3-1-2-18(25-19)20-26-23-12-28(20)16-7-8-16/h1-4,9-10,12,15-16H,5-8,11H2,(H,24,29)
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))
BDBM307616
PNG
(N-cyclopropyl-2-(6- (4-cyclopropyl-4H- 1,2,4-triaz...)
Show SMILES O=C(NC1CC1)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C22H20N6O2/c29-21(24-15-5-6-15)13-4-9-17-14(10-13)11-27(22(17)30)19-3-1-2-18(25-19)20-26-23-12-28(20)16-7-8-16/h1-4,9-10,12,15-16H,5-8,11H2,(H,24,29)
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