BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1OC)[C@H]1O[C@H](OC[C@@H]1C\C=C\c1c(OC)cccc1OC)\C=C\c1ccccc1OC

InChI Key: InChIKey=VNZIUIULBCXGGL-BLWXPVKYSA-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 = 50041018   
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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50041018
PNG
(CHEMBL3355394)
Show SMILES COc1ccc(cc1OC)[C@H]1O[C@H](OC[C@@H]1C\C=C\c1c(OC)cccc1OC)\C=C\c1ccccc1OC |r|
Show InChI InChI=1S/C32H36O7/c1-33-26-13-7-6-10-22(26)17-19-31-38-21-24(11-8-12-25-27(34-2)14-9-15-28(25)35-3)32(39-31)23-16-18-29(36-4)30(20-23)37-5/h6-10,12-20,24,31-32H,11,21H2,1-5H3/b12-8+,19-17+/t24-,31-,32+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by li...

J Nat Prod 77: 2651-7 (2014)


Article DOI: 10.1021/np500528u
BindingDB Entry DOI: 10.7270/Q2N87CDV
More data for this
Ligand-Target Pair