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BDBM119899 US8697911, 20

SMILES: CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc5cc(O)ccc5c4)c3)sc2C1

InChI Key: InChIKey=MWAGZSLXQWNPKD-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 119899   
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))
BDBM119899
PNG
(US8697911, 20)
Show SMILES CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc5cc(O)ccc5c4)c3)sc2C1
Show InChI InChI=1S/C26H24N4O3S/c1-30-10-9-22-23(15-30)34-26(28-22)29-25(33)19-4-2-3-16(11-19)14-27-24(32)20-6-5-18-13-21(31)8-7-17(18)12-20/h2-8,11-13,31H,9-10,14-15H2,1H3,(H,27,32)(H,28,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.390n/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