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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM350232'   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM350232
PNG
(US20230270730, Compound A-14)
Show SMILES CCOc1ccc(cc1N(C)c1ccc(Oc2nc(O)c3ccncc3n2)cc1)N1CCN(C)CC1
Show InChI InChI=1S/C27H30N6O3/c1-4-35-25-10-7-20(33-15-13-31(2)14-16-33)17-24(25)32(3)19-5-8-21(9-6-19)36-27-29-23-18-28-12-11-22(23)26(34)30-27/h5-12,17-18H,4,13-16H2,1-3H3,(H,29,30,34)
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 2n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q2736W19
More data for this
Ligand-Target Pair