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SMILES: CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CCNC(=O)NN)s2)nc1

InChI Key: InChIKey=RKMCIRVABBKKBU-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 = 309495   
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
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM309495
PNG
(US9603833, Example 117)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CCNC(=O)NN)s2)nc1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;HN;;;;$|
Show InChI InChI=1S/C20H28N6O2S/c1-15(27)25-10-12-26(13-11-25)17-4-2-16(23-14-17)3-5-18-6-7-19(29-18)8-9-22-20(28)24-21/h2,4,6-7,14H,3,5,8-13,21H2,1H3,(H2,22,24,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM309495
PNG
(US9603833, Example 117)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CCNC(=O)NN)s2)nc1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;HN;;;;$|
Show InChI InChI=1S/C20H28N6O2S/c1-15(27)25-10-12-26(13-11-25)17-4-2-16(23-14-17)3-5-18-6-7-19(29-18)8-9-22-20(28)24-21/h2,4,6-7,14H,3,5,8-13,21H2,1H3,(H2,22,24,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18.7n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair