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SMILES: Fc1cccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1Cl

InChI Key: InChIKey=QRCXVHAQSBYEEP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 495249   
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))		BDBM495249
PNG
(1-(2-Chloro-3-fluorobenzyl)-4-(5-morpholino-1H-pyr...)
Show SMILES Fc1cccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1Cl
Show InChI InChI=1S/C23H20ClFN4O2/c24-22-16(2-1-3-20(22)25)14-29-5-4-15(10-21(29)30)19-13-27-23-18(19)11-17(12-26-23)28-6-8-31-9-7-28/h1-5,10-13H,6-9,14H2,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a<150n/an/an/an/an/an/a



AGV DISCOVERY; INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM); CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS); UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
To assess compounds capacity to inhibit ERK2 enzymatic activity, Z′-Lyte biochemical assay from Life technologies was used according to manufac...

US Patent US10995089 (2021)

More data for this
Ligand-Target Pair