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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 = 'BDBM200417'   
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))		BDBM200417
PNG
(US9227969, 44 | US9629836, 44)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(CO)n2)cc1Cl
Show InChI InChI=1S/C30H27ClFN5O4/c1-17-34-27-14-33-26-13-25(32)22(12-23(26)30(27)37(17)19-7-9-36(10-8-19)29(40)16-39)21-6-5-20(11-24(21)31)41-28-4-2-3-18(15-38)35-28/h2-6,11-14,19,38-39H,7-10,15-16H2,1H3
PDB

UniProtKB/SwissProt

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