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SMILES: CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4sc(nc4C)-c4ccncc4)c3)sc2C1

InChI Key: InChIKey=VWHRGYATTNGULG-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 120004   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM120004
PNG
(US8697911, 205)
Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4sc(nc4C)-c4ccncc4)c3)sc2C1 |r|
Show InChI InChI=1S/C27H28N6O2S2/c1-16-23(37-26(30-16)18-9-11-28-12-10-18)25(35)29-15-17-5-4-6-19(13-17)24(34)32-27-31-21-8-7-20(33(2)3)14-22(21)36-27/h4-6,9-13,20H,7-8,14-15H2,1-3H3,(H,29,35)(H,31,32,34)/t20-/m0/s1
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KEGG

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Similars
US Patent
n/an/a 0.25n/an/an/an/a7.2n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...

US Patent US8697911 (2014)


BindingDB Entry DOI: 10.7270/Q25X27KR
More data for this
Ligand-Target Pair