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BDBM119979 US8697911, 152

SMILES: Cc1c(nnn1-c1nonc1N)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1

InChI Key: InChIKey=FDEKRIOOXHDCGL-KRWDZBQOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 119979   
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))
BDBM119979
PNG
(US8697911, 152)
Show SMILES Cc1c(nnn1-c1nonc1N)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
Show InChI InChI=1S/C25H28N10O4S/c1-14-20(30-33-35(14)22-21(26)31-39-32-22)24(37)27-13-15-3-2-4-16(11-15)23(36)29-25-28-18-6-5-17(12-19(18)40-25)34-7-9-38-10-8-34/h2-4,11,17H,5-10,12-13H2,1H3,(H2,26,31)(H,27,37)(H,28,29,36)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.570n/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))
BDBM119979
PNG
(US8697911, 152)
Show SMILES Cc1c(nnn1-c1nonc1N)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
Show InChI InChI=1S/C25H28N10O4S/c1-14-20(30-33-35(14)22-21(26)31-39-32-22)24(37)27-13-15-3-2-4-16(11-15)23(36)29-25-28-18-6-5-17(12-19(18)40-25)34-7-9-38-10-8-34/h2-4,11,17H,5-10,12-13H2,1H3,(H2,26,31)(H,27,37)(H,28,29,36)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/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