BindingDB logo
myBDB logout

null

SMILES: Cc1ccc(nc1)C#Cc1ccc(cc1)-c1nn(C)cc1-c1ccncc1

InChI Key: InChIKey=XFKQFMGXPFHAGE-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 1 hit for monomerid = 347636   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM347636
PNG
(5-methyl-2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyraz...)
Show SMILES Cc1ccc(nc1)C#Cc1ccc(cc1)-c1nn(C)cc1-c1ccncc1
Show InChI InChI=1S/C23H18N4/c1-17-3-9-21(25-15-17)10-6-18-4-7-20(8-5-18)23-22(16-27(2)26-23)19-11-13-24-14-12-19/h3-5,7-9,11-16H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



ABBVIE INC.; ABBVIE DEUTSCHLAND GMBH & CO. KG

US Patent


Assay Description
The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and subst...


US Patent US9790203 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VD4
More data for this
Ligand-Target Pair