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BDBM50116677 (4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-(2E)-ylideneamine::CHEMBL74679

SMILES: CC1=CC(N)=N[C@@H]2CCCC[C@H]12

InChI Key: InChIKey=VPZRXMOMNFFKQE-RKDXNWHRSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50116677   
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))
BDBM50116677
PNG
((4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quin...)
Show SMILES CC1=CC(N)=N[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C10H16N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6,8-9H,2-5H2,1H3,(H2,11,12)/t8-,9-/m1/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00455-9
BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116677
PNG
((4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quin...)
Show SMILES CC1=CC(N)=N[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C10H16N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6,8-9H,2-5H2,1H3,(H2,11,12)/t8-,9-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00455-9
BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair