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SMILES: S=c1[nH]c2CCCCc2cc1C#N

InChI Key: InChIKey=IAUSXQDCCZQHQE-UHFFFAOYSA-N

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 2 hits for monomerid = 80121   
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
DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80121
PNG
(2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-...)
Show SMILES S=c1[nH]c2CCCCc2cc1C#N
Show InChI InChI=1S/C10H10N2S/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4H2,(H,12,13)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80121
PNG
(2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-...)
Show SMILES S=c1[nH]c2CCCCc2cc1C#N
Show InChI InChI=1S/C10H10N2S/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4H2,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.16E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair