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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 [K97R]' and Ligand = 'BDBM200381'   
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 [K97R]


(Homo sapiens (Human))		BDBM200381
PNG
(US10011599, Example 9 | US9227969, 9 | US9629836, ...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C29H28ClFN6O3S/c1-17(2)41(38,39)36-11-7-19(8-12-36)37-18(3)35-27-16-34-26-15-25(31)22(14-23(26)28(27)37)21-6-5-20(13-24(21)30)40-29-32-9-4-10-33-29/h4-6,9-10,13-17,19H,7-8,11-12H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 103n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...

US Patent US9629836 (2017)


BindingDB Entry DOI: 10.7270/Q2PN97RJ
More data for this
Ligand-Target Pair