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SMILES: CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1

InChI Key: InChIKey=RGOXMFMTFITUPB-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 = 197982   
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 1


(Homo sapiens (Human))
BDBM197982
PNG
(US9221767, 33 | US9926282, Example 33)
Show SMILES CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Show InChI InChI=1S/C26H23N3O3/c1-2-32-20-12-11-18-13-14-29(23(18)16-20)24(30)15-17-7-9-19(10-8-17)25-21-5-3-4-6-22(21)26(31)28-27-25/h3-12,16H,2,13-15H2,1H3,(H,28,31)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/a7.5n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197982
PNG
(US9221767, 33 | US9926282, Example 33)
Show SMILES CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Show InChI InChI=1S/C26H23N3O3/c1-2-32-20-12-11-18-13-14-29(23(18)16-20)24(30)15-17-7-9-19(10-8-17)25-21-5-3-4-6-22(21)26(31)28-27-25/h3-12,16H,2,13-15H2,1H3,(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q2445PSQ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197982
PNG
(US9221767, 33 | US9926282, Example 33)
Show SMILES CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Show InChI InChI=1S/C26H23N3O3/c1-2-32-20-12-11-18-13-14-29(23(18)16-20)24(30)15-17-7-9-19(10-8-17)25-21-5-3-4-6-22(21)26(31)28-27-25/h3-12,16H,2,13-15H2,1H3,(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q2445PSQ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197982
PNG
(US9221767, 33 | US9926282, Example 33)
Show SMILES CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Show InChI InChI=1S/C26H23N3O3/c1-2-32-20-12-11-18-13-14-29(23(18)16-20)24(30)15-17-7-9-19(10-8-17)25-21-5-3-4-6-22(21)26(31)28-27-25/h3-12,16H,2,13-15H2,1H3,(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/a7.5n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair