BindingDB logo
myBDB logout

BDBM50446246 CHEMBL3109192

SMILES: Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1

InChI Key: InChIKey=HBLUENCDTVSVQJ-AZUAARDMSA-N

Data: 3 KI

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 3 hits for monomerid = 50446246   
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, brain


(Rattus norvegicus (rat))
BDBM50446246
PNG
(CHEMBL3109192)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
153n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50446246
PNG
(CHEMBL3109192)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5.86E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex m...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50446246
PNG
(CHEMBL3109192)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
7.96E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine recombinant eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex ...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair