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SMILES: C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=GDQIEMCQIJBZTI-YVEFUNNKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 180942   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM180942
PNG
(US9133187, I-33)
Show SMILES C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C20H25Cl2N5O3/c1-12(11-29)24-19-23-9-14-4-6-27(10-18(14)25-19)20(30)26-17(5-7-28)13-2-3-15(21)16(22)8-13/h2-3,8-9,12,17,28-29H,4-7,10-11H2,1H3,(H,26,30)(H,23,24,25)/t12-,17+/m0/s1
PDB
MMDB

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KEGG

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Similars
US Patent
n/an/a 1.10n/an/an/an/a7.3n/a



ARRAY BIOPHARMA INC.; GENENTECH, INC.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...

US Patent US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair