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1 similar compounds to monomer 50206067

Compile data set for download or QSAR
Wt: 387.5
BDBM50206081

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50206081   
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
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50206081
PNG
(CHEMBL233024 | N-[2-(2-morpholin-4-yl-ethylamino)-...)
Show SMILES NC(=Nc1ccc2sc(NCCN3CCOCC3)nc2c1)c1cccs1
Show InChI InChI=1S/C18H21N5OS2/c19-17(16-2-1-11-25-16)21-13-3-4-15-14(12-13)22-18(26-15)20-5-6-23-7-9-24-10-8-23/h1-4,11-12H,5-10H2,(H2,19,21)(H,20,22)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human endothelial NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50206081
PNG
(CHEMBL233024 | N-[2-(2-morpholin-4-yl-ethylamino)-...)
Show SMILES NC(=Nc1ccc2sc(NCCN3CCOCC3)nc2c1)c1cccs1
Show InChI InChI=1S/C18H21N5OS2/c19-17(16-2-1-11-25-16)21-13-3-4-15-14(12-13)22-18(26-15)20-5-6-23-7-9-24-10-8-23/h1-4,11-12H,5-10H2,(H2,19,21)(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50206081
PNG
(CHEMBL233024 | N-[2-(2-morpholin-4-yl-ethylamino)-...)
Show SMILES NC(=Nc1ccc2sc(NCCN3CCOCC3)nc2c1)c1cccs1
Show InChI InChI=1S/C18H21N5OS2/c19-17(16-2-1-11-25-16)21-13-3-4-15-14(12-13)22-18(26-15)20-5-6-23-7-9-24-10-8-23/h1-4,11-12H,5-10H2,(H2,19,21)(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.41E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair