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SMILES: O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCCC1

InChI Key: InChIKey=AWBKTMLYSSBTLA-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 2 hits for monomerid = 197987   
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))
BDBM197987
PNG
(US9221767, 61)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C26H24N4O2/c31-25(19-10-14-21(15-11-19)30-16-4-1-5-17-30)27-20-12-8-18(9-13-20)24-22-6-2-3-7-23(22)26(32)29-28-24/h2-3,6-15H,1,4-5,16-17H2,(H,27,31)(H,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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 1


(Homo sapiens (Human))
BDBM197987
PNG
(US9221767, 61)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C26H24N4O2/c31-25(19-10-14-21(15-11-19)30-16-4-1-5-17-30)27-20-12-8-18(9-13-20)24-22-6-2-3-7-23(22)26(32)29-28-24/h2-3,6-15H,1,4-5,16-17H2,(H,27,31)(H,29,32)
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 49n/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