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SMILES: CN1c2ccc(Cl)cc2C(=O)N[C@@](C)(Cc2ccc(cc2)-c2ccncc2)C1=O

InChI Key: InChIKey=NXVPQEPDCCOYBA-QHCPKHFHSA-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 = 362926   
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 [11-552]


(Homo sapiens (Human))
BDBM362926
PNG
(US9849138, 2)
Show SMILES CN1c2ccc(Cl)cc2C(=O)N[C@@](C)(Cc2ccc(cc2)-c2ccncc2)C1=O |r|
Show InChI InChI=1S/C23H20ClN3O2/c1-23(14-15-3-5-16(6-4-15)17-9-11-25-12-10-17)22(29)27(2)20-8-7-18(24)13-19(20)21(28)26-23/h3-13H,14H2,1-2H3,(H,26,28)/t23-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+7n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 μL, ROCK-II (h, amino acids 11-552) (5-10 mU) was incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 μM KEA...


US Patent US9849138 (2017)


BindingDB Entry DOI: 10.7270/Q2WH2S95
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 [17-535]


(Homo Sapiens (Human))
BDBM362926
PNG
(US9849138, 2)
Show SMILES CN1c2ccc(Cl)cc2C(=O)N[C@@](C)(Cc2ccc(cc2)-c2ccncc2)C1=O |r|
Show InChI InChI=1S/C23H20ClN3O2/c1-23(14-15-3-5-16(6-4-15)17-9-11-25-12-10-17)22(29)27(2)20-8-7-18(24)13-19(20)21(28)26-23/h3-13H,14H2,1-2H3,(H,26,28)/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+7n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...


US Patent US9849138 (2017)


BindingDB Entry DOI: 10.7270/Q2WH2S95
More data for this
Ligand-Target Pair