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SMILES: Nc1nonc1-n1nnc(C(=O)N2CCC[C@@H]2c2cccc(c2)C(=O)Nc2nc3CC[C@@H](Cc3s2)N2CCOCC2)c1-c1ccccc1

InChI Key: InChIKey=CZIZIHYOQJSLMR-UKILVPOCSA-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 = 169601   
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))
BDBM169601
PNG
(US9079880, 134)
Show SMILES Nc1nonc1-n1nnc(C(=O)N2CCC[C@@H]2c2cccc(c2)C(=O)Nc2nc3CC[C@@H](Cc3s2)N2CCOCC2)c1-c1ccccc1 |r|
Show InChI InChI=1S/C33H34N10O4S/c34-29-30(39-47-38-29)43-28(20-6-2-1-3-7-20)27(37-40-43)32(45)42-13-5-10-25(42)21-8-4-9-22(18-21)31(44)36-33-35-24-12-11-23(19-26(24)48-33)41-14-16-46-17-15-41/h1-4,6-9,18,23,25H,5,10-17,19H2,(H2,34,38)(H,35,36,44)/t23-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 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))
BDBM169601
PNG
(US9079880, 134)
Show SMILES Nc1nonc1-n1nnc(C(=O)N2CCC[C@@H]2c2cccc(c2)C(=O)Nc2nc3CC[C@@H](Cc3s2)N2CCOCC2)c1-c1ccccc1 |r|
Show InChI InChI=1S/C33H34N10O4S/c34-29-30(39-47-38-29)43-28(20-6-2-1-3-7-20)27(37-40-43)32(45)42-13-5-10-25(42)21-8-4-9-22(18-21)31(44)36-33-35-24-12-11-23(19-26(24)48-33)41-14-16-46-17-15-41/h1-4,6-9,18,23,25H,5,10-17,19H2,(H2,34,38)(H,35,36,44)/t23-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.70n/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