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BDBM50086461 (R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-propionic acid::CHEMBL351787

SMILES: CC(=N)NCCSC[C@H](N)C(O)=O

InChI Key: InChIKey=KQPLTXABUXNVDD-LURJTMIESA-N

Data: 5 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 5 hits for monomerid = 50086461   
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, inducible


(Homo sapiens (Human))
BDBM50086461
PNG
((R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
PDB
MMDB

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PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086461
PNG
((R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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CHEMBL
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PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086461
PNG
((R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human DLD1 cells after 1 hr


Bioorg Med Chem Lett 18: 336-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.073
BindingDB Entry DOI: 10.7270/Q2H9961Q
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086461
PNG
((R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in insect SF9 cells after 1 hr


Bioorg Med Chem Lett 18: 336-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.073
BindingDB Entry DOI: 10.7270/Q2H9961Q
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086461
PNG
((R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair