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SMILES: CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(F)cc1)C(=O)OC

InChI Key:

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50585155   
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))
BDBM50585155
PNG
(CHEMBL5093141)
Show SMILES CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(F)cc1)C(=O)OC |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 421n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human iNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00578
BindingDB Entry DOI: 10.7270/Q2H9993V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50585155
PNG
(CHEMBL5093141)
Show SMILES CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(F)cc1)C(=O)OC |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.11E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human eNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00578
BindingDB Entry DOI: 10.7270/Q2H9993V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50585155
PNG
(CHEMBL5093141)
Show SMILES CC[C@H](C)[C@H](NC(=O)\C=C\c1ccc(F)cc1)C(=O)OC |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.03E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human nNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00578
BindingDB Entry DOI: 10.7270/Q2H9993V
More data for this
Ligand-Target Pair