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BDBM330035 Methyl [(7S)-7-[6-(aminomethyl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate::US9663527, Example 1

SMILES: COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1CCc2cc(C[NH3+])ccc2C1=O

InChI Key:

Data: 1 KI

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 = 330035   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM330035
PNG
(Methyl [(7S)-7-[6-(aminomethyl)-1-oxo-3,4-dihydroi...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1CCc2cc(C[NH3+])ccc2C1=O |r|
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
2.40n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




US Patent US9663527 (2017)


BindingDB Entry DOI: 10.7270/Q2862JJQ
More data for this
Ligand-Target Pair