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SMILES: Oc1ccc2cc(ccc2c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1

InChI Key: InChIKey=ZXRGWEIYHJUQPL-LITSAYRRSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 169597   
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))
BDBM169597
PNG
(US9079880, 130)
Show SMILES Oc1ccc2cc(ccc2c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
Show InChI InChI=1S/C33H34N4O4S/c38-27-10-8-21-17-25(7-6-22(21)19-27)32(40)37-12-2-5-29(37)23-3-1-4-24(18-23)31(39)35-33-34-28-11-9-26(20-30(28)42-33)36-13-15-41-16-14-36/h1,3-4,6-8,10,17-19,26,29,38H,2,5,9,11-16,20H2,(H,34,35,39)/t26-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.30n/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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM169597
PNG
(US9079880, 130)
Show SMILES Oc1ccc2cc(ccc2c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
Show InChI InChI=1S/C33H34N4O4S/c38-27-10-8-21-17-25(7-6-22(21)19-27)32(40)37-12-2-5-29(37)23-3-1-4-24(18-23)31(39)35-33-34-28-11-9-26(20-30(28)42-33)36-13-15-41-16-14-36/h1,3-4,6-8,10,17-19,26,29,38H,2,5,9,11-16,20H2,(H,34,35,39)/t26-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.5n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of ROCKII (1-543) kinase was measured utilizing Cambrex PKLight ATP Detection Reagent, a homogeneous assay technology using luciferin-lu...


US Patent US9079880 (2015)


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