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BDBM50125818 CHEMBL3623896

InChI string: InChI=1S/C23H20N6O/c1-15-9-17(11-28-23(15)19-4-3-16(2)26-13-19)10-22(30)29-21-6-5-18(12-27-21)20-14-24-7-8-25-20/h3-9,11-14H,10H2,1-2H3,(H,27,29,30)

SMILES: Cc1ccc(cn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C

InChI Key: InChIKey=JRUJPWQYJMOGKB-UHFFFAOYSA-N

Data: 2 IC50

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 = 50125818   
Target
(Institution)
LigandTarget
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
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens)
BDBM50125818
PNG
(CHEMBL3623896)
Show SMILES Cc1ccc(cn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Show InChI InChI=1S/C23H20N6O/c1-15-9-17(11-28-23(15)19-4-3-16(2)26-13-19)10-22(30)29-21-6-5-18(12-27-21)20-14-24-7-8-25-20/h3-9,11-14H,10H2,1-2H3,(H,27,29,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.380n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin)


Bioorg Med Chem 23: 6855-68 (2015)

More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens)
BDBM50125818
PNG
(CHEMBL3623896)
Show SMILES Cc1ccc(cn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Show InChI InChI=1S/C23H20N6O/c1-15-9-17(11-28-23(15)19-4-3-16(2)26-13-19)10-22(30)29-21-6-5-18(12-27-21)20-14-24-7-8-25-20/h3-9,11-14H,10H2,1-2H3,(H,27,29,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.570n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in mouse L Wnt3A cells co-cultured with TM3 cells harboring luciferase reporter gene assessed as r...


Bioorg Med Chem 23: 6855-68 (2015)

More data for this
Ligand-Target Pair