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SMILES: CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCOC)c(OC)cc2n1

InChI Key: InChIKey=RBMZTABDHRMSMI-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 6 hits for monomerid = 141003   
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))
BDBM141003
PNG
(US10570123, Example 207 | US8916576, 207)
Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCOC)c(OC)cc2n1
Show InChI InChI=1S/C29H30N6O4/c1-4-6-27(36)31-20-8-5-7-18(13-20)28-33-24-16-25(38-3)26(39-12-11-37-2)15-22(24)29(34-28)32-21-9-10-23-19(14-21)17-30-35-23/h5,7-10,13-17H,4,6,11-12H2,1-3H3,(H,30,35)(H,31,36)(H,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 61n/an/an/an/an/an/a



Surface Logix, Inc.

US Patent


Assay Description
ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).


US Patent US8916576 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M6K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM141003
PNG
(US10570123, Example 207 | US8916576, 207)
Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCOC)c(OC)cc2n1
Show InChI InChI=1S/C29H30N6O4/c1-4-6-27(36)31-20-8-5-7-18(13-20)28-33-24-16-25(38-3)26(39-12-11-37-2)15-22(24)29(34-28)32-21-9-10-23-19(14-21)17-30-35-23/h5,7-10,13-17H,4,6,11-12H2,1-3H3,(H,30,35)(H,31,36)(H,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 44n/an/an/an/an/an/a



Surface Logix, Inc.

US Patent


Assay Description
ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).


US Patent US8916576 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M6K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM141003
PNG
(US10570123, Example 207 | US8916576, 207)
Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCOC)c(OC)cc2n1
Show InChI InChI=1S/C29H30N6O4/c1-4-6-27(36)31-20-8-5-7-18(13-20)28-33-24-16-25(38-3)26(39-12-11-37-2)15-22(24)29(34-28)32-21-9-10-23-19(14-21)17-30-35-23/h5,7-10,13-17H,4,6,11-12H2,1-3H3,(H,30,35)(H,31,36)(H,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 29n/an/an/an/an/an/a



SURFACE LOGIX, LLC

US Patent


Assay Description
ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).


US Patent US10570123 (2020)


BindingDB Entry DOI: 10.7270/Q2542R1V
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM141003
PNG
(US10570123, Example 207 | US8916576, 207)
Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCOC)c(OC)cc2n1
Show InChI InChI=1S/C29H30N6O4/c1-4-6-27(36)31-20-8-5-7-18(13-20)28-33-24-16-25(38-3)26(39-12-11-37-2)15-22(24)29(34-28)32-21-9-10-23-19(14-21)17-30-35-23/h5,7-10,13-17H,4,6,11-12H2,1-3H3,(H,30,35)(H,31,36)(H,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 61n/an/an/an/an/an/a



SURFACE LOGIX, LLC

US Patent


Assay Description
ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).


US Patent US10570123 (2020)


BindingDB Entry DOI: 10.7270/Q2542R1V
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM141003
PNG
(US10570123, Example 207 | US8916576, 207)
Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCOC)c(OC)cc2n1
Show InChI InChI=1S/C29H30N6O4/c1-4-6-27(36)31-20-8-5-7-18(13-20)28-33-24-16-25(38-3)26(39-12-11-37-2)15-22(24)29(34-28)32-21-9-10-23-19(14-21)17-30-35-23/h5,7-10,13-17H,4,6,11-12H2,1-3H3,(H,30,35)(H,31,36)(H,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 29n/an/an/an/an/an/a



SURFACE LOGIX, LLC

US Patent


Assay Description
ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).


US Patent US10570123 (2020)


BindingDB Entry DOI: 10.7270/Q2542R1V
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM141003
PNG
(US10570123, Example 207 | US8916576, 207)
Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCOC)c(OC)cc2n1
Show InChI InChI=1S/C29H30N6O4/c1-4-6-27(36)31-20-8-5-7-18(13-20)28-33-24-16-25(38-3)26(39-12-11-37-2)15-22(24)29(34-28)32-21-9-10-23-19(14-21)17-30-35-23/h5,7-10,13-17H,4,6,11-12H2,1-3H3,(H,30,35)(H,31,36)(H,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 29n/an/an/an/an/an/a



Surface Logix, Inc.

US Patent


Assay Description
ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).


US Patent US8916576 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M6K
More data for this
Ligand-Target Pair