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SMILES: CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)cc2C1

InChI Key: InChIKey=FDFPXMUSBROKPG-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 4 hits for monomerid = 119965   
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))
BDBM119965
PNG
(US10738007, Compound B | US8697911, 129)
Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)cc2C1
Show InChI InChI=1S/C30H28N4O2/c1-34-16-13-23-9-10-28(18-27(23)20-34)33-30(36)26-4-2-3-21(17-26)19-32-29(35)25-7-5-22(6-8-25)24-11-14-31-15-12-24/h2-12,14-15,17-18H,13,16,19-20H2,1H3,(H,32,35)(H,33,36)
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM119965
PNG
(US10738007, Compound B | US8697911, 129)
Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)cc2C1
Show InChI InChI=1S/C30H28N4O2/c1-34-16-13-23-9-10-28(18-27(23)20-34)33-30(36)26-4-2-3-21(17-26)19-32-29(35)25-7-5-22(6-8-25)24-11-14-31-15-12-24/h2-12,14-15,17-18H,13,16,19-20H2,1H3,(H,32,35)(H,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.70n/an/an/an/an/an/a



Translation Drug Development, LLC

US Patent


Assay Description
The following assay protocol is for measuring the phosphorylation of a peptide substrate (FAM-KKLRRTLSVA-OH wherein FAM is carboxyfluorescein). The p...


US Patent US10738007 (2020)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM119965
PNG
(US10738007, Compound B | US8697911, 129)
Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)cc2C1
Show InChI InChI=1S/C30H28N4O2/c1-34-16-13-23-9-10-28(18-27(23)20-34)33-30(36)26-4-2-3-21(17-26)19-32-29(35)25-7-5-22(6-8-25)24-11-14-31-15-12-24/h2-12,14-15,17-18H,13,16,19-20H2,1H3,(H,32,35)(H,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.90n/an/an/an/an/an/a



Translation Drug Development, LLC

US Patent


Assay Description
The following assay protocol is for measuring the phosphorylation of a peptide substrate (FAM-KKLRRTLSVA-OH wherein FAM is carboxyfluorescein). The p...


US Patent US10738007 (2020)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM119965
PNG
(US10738007, Compound B | US8697911, 129)
Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)cc2C1
Show InChI InChI=1S/C30H28N4O2/c1-34-16-13-23-9-10-28(18-27(23)20-34)33-30(36)26-4-2-3-21(17-26)19-32-29(35)25-7-5-22(6-8-25)24-11-14-31-15-12-24/h2-12,14-15,17-18H,13,16,19-20H2,1H3,(H,32,35)(H,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.195n/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