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BDBM50240959 (S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pentanoic acid::CHEMBL366222::N-omega-(2-methoxyethyl)-L-arginine::N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE

SMILES: COCCNC(N)=NCCC[C@H](N)C(O)=O

InChI Key: InChIKey=XMBSMMCPKFDGEO-JLDDOWRYNA-N

Data: 1 KI  2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50240959   
Target
(Institution)
LigandTarget
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
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240959
PNG
((S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pen...)
Show SMILES COCCNC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7|
Show InChI InChI=1/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/s2
PDB
MMDB

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AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240959
PNG
((S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pen...)
Show SMILES COCCNC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7|
Show InChI InChI=1/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/s2
PDB
MMDB

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SMPDB pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1


(Rattus norvegicus)
BDBM50240959
PNG
((S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pen...)
Show SMILES COCCNC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7|
Show InChI InChI=1/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of rat DDAH


Citation and Details
More data for this
Ligand-Target Pair