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SMILES: CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5[nH]4)C(N)=O)c3)cc2C1

InChI Key: InChIKey=OGBCEWLJMNHRGZ-UHFFFAOYSA-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 = 119925   
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))
BDBM119925
PNG
(US8697911, 54)
Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5[nH]4)C(N)=O)c3)cc2C1
Show InChI InChI=1S/C28H27N5O3/c1-33-10-9-18-7-8-23(12-22(18)16-33)31-27(35)21-4-2-3-17(11-21)15-30-28(36)25-13-19-5-6-20(26(29)34)14-24(19)32-25/h2-8,11-14,32H,9-10,15-16H2,1H3,(H2,29,34)(H,30,36)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.450n/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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM119925
PNG
(US8697911, 54)
Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5[nH]4)C(N)=O)c3)cc2C1
Show InChI InChI=1S/C28H27N5O3/c1-33-10-9-18-7-8-23(12-22(18)16-33)31-27(35)21-4-2-3-17(11-21)15-30-28(36)25-13-19-5-6-20(26(29)34)14-24(19)32-25/h2-8,11-14,32H,9-10,15-16H2,1H3,(H2,29,34)(H,30,36)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/an/an/an/a7.528



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8697911 (2014)


BindingDB Entry DOI: 10.7270/Q25X27KR
More data for this
Ligand-Target Pair