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BDBM50047015 CHEMBL14474::Chinolin::benzo[b]pyridine::quinoline

SMILES: c1ccc2ncccc2c1

InChI Key: InChIKey=SMWDFEZZVXVKRB-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047015   
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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50047015
PNG
(CHEMBL14474 | Chinolin | benzo[b]pyridine | quinol...)
Show SMILES c1ccc2ncccc2c1
Show InChI InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Institut f£r Toxikologie

Curated by ChEMBL


Assay Description
Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)


J Med Chem 36: 1136-45 (1993)


BindingDB Entry DOI: 10.7270/Q2GM87X6
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase (NNMT)


(Homo sapiens (Human))
BDBM50047015
PNG
(CHEMBL14474 | Chinolin | benzo[b]pyridine | quinol...)
Show SMILES c1ccc2ncccc2c1
Show InChI InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.02E+8 -1.41n/an/an/an/an/a8.637



Utrecht University



Assay Description
Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...


Biochemistry 55: 5307-15 (2016)


Article DOI: 10.1021/acs.biochem.6b00733
BindingDB Entry DOI: 10.7270/Q2H130TH
More data for this
Ligand-Target Pair