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SMILES: CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(cc5n4)C#N)c3)sc2C1

InChI Key: InChIKey=SMTUGKANBCZJAW-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 119946   
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))		BDBM119946
PNG
(US8697911, 98)
Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(cc5n4)C#N)c3)sc2C1 |r|
Show InChI InChI=1S/C26H25N7O2S/c1-32(2)19-6-7-20-22(12-19)36-26(30-20)31-24(34)18-5-3-4-17(10-18)14-28-25(35)21-15-33-9-8-16(13-27)11-23(33)29-21/h3-5,8-11,15,19H,6-7,12,14H2,1-2H3,(H,28,35)(H,30,31,34)/t19-/m0/s1
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KEGG

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PC cid
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Similars
US Patent
n/an/a 0.270n/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