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SMILES: CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5n4C)C(N)=O)c3)cc2C1

InChI Key: InChIKey=ZNMBEEVFUZFWBT-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 119938   
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))		BDBM119938
PNG
(US8697911, 84)
Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5n4C)C(N)=O)c3)cc2C1
Show InChI InChI=1S/C29H29N5O3/c1-33-11-10-19-8-9-24(13-23(19)17-33)32-28(36)22-5-3-4-18(12-22)16-31-29(37)26-14-20-6-7-21(27(30)35)15-25(20)34(26)2/h3-9,12-15H,10-11,16-17H2,1-2H3,(H2,30,35)(H,31,37)(H,32,36)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.260n/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