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SMILES: O=C(Nc1cccc(c1)C#N)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1

InChI Key: InChIKey=OJMFKVILQWNWQB-AZGAKELHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 169506   
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))		BDBM169506
PNG
(US9079880, 39)
Show SMILES O=C(Nc1cccc(c1)C#N)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
Show InChI InChI=1S/C30H32N6O3S/c31-19-20-4-1-7-23(16-20)32-30(38)36-11-3-8-26(36)21-5-2-6-22(17-21)28(37)34-29-33-25-10-9-24(18-27(25)40-29)35-12-14-39-15-13-35/h1-2,4-7,16-17,24,26H,3,8-15,18H2,(H,32,38)(H,33,34,37)/t24-,26+/m0/s1
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MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.600n/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 US9079880 (2015)


BindingDB Entry DOI: 10.7270/Q25X27QJ
More data for this
Ligand-Target Pair