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BDBM60921 isoquinoline

SMILES: c1ccc2cnccc2c1

InChI Key: InChIKey=AWJUIBRHMBBTKR-UHFFFAOYSA-N

Data: 1 KI

PDB links: 3 PDB IDs match this monomer.

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 1 hit for monomerid = 60921   
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
Nicotinamide N-methyltransferase (NNMT)


(Homo sapiens (Human))
BDBM60921
PNG
(isoquinoline)
Show SMILES c1ccc2cnccc2c1
Show InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
2.02E+8 -0.985n/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