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SMILES: O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1ccc(cc1)-c1cnco1

InChI Key: InChIKey=HJFVYDJAEFHGGT-QHCPKHFHSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 119982   
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))		BDBM119982
PNG
(US8697911, 162)
Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1ccc(cc1)-c1cnco1 |r|
Show InChI InChI=1S/C29H29N5O4S/c35-27(21-6-4-20(5-7-21)25-17-30-18-38-25)31-16-19-2-1-3-22(14-19)28(36)33-29-32-24-9-8-23(15-26(24)39-29)34-10-12-37-13-11-34/h1-7,14,17-18,23H,8-13,15-16H2,(H,31,35)(H,32,33,36)/t23-/m0/s1
PDB
MMDB

KEGG

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antibodypedia
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.430n/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