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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 12' and Ligand = 'BDBM330264'   
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 12


(Homo sapiens (Human))
BDBM330264
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.51E+4n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330264
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.62E+4n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair