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SMILES: COc1cc(cc(OC)c1OC)-c1c(C(=O)N(C)C)n(-c2ccc(N)cc2)c(=O)c2cc(OCc3ccccn3)ccc12

InChI Key: InChIKey=GXPNMEZJOKAJRL-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 3 hits for monomerid = 50100675   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
BDBM50100675
PNG
(3N,3N-dimethyl-2-(4-aminophenyl)-1-oxo-7-(2-pyridy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c(C(=O)N(C)C)n(-c2ccc(N)cc2)c(=O)c2cc(OCc3ccccn3)ccc12
Show InChI InChI=1S/C33H32N4O6/c1-36(2)33(39)30-29(20-16-27(40-3)31(42-5)28(17-20)41-4)25-14-13-24(43-19-22-8-6-7-15-35-22)18-26(25)32(38)37(30)23-11-9-21(34)10-12-23/h6-18H,19,34H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)


J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Phosphodiesterase


(Rattus norvegicus)
BDBM50100675
PNG
(3N,3N-dimethyl-2-(4-aminophenyl)-1-oxo-7-(2-pyridy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c(C(=O)N(C)C)n(-c2ccc(N)cc2)c(=O)c2cc(OCc3ccccn3)ccc12
Show InChI InChI=1S/C33H32N4O6/c1-36(2)33(39)30-29(20-16-27(40-3)31(42-5)28(17-20)41-4)25-14-13-24(43-19-22-8-6-7-15-35-22)18-26(25)32(38)37(30)23-11-9-21(34)10-12-23/h6-18H,19,34H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart Phosphodiesterase 1(PDE1)


J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50100675
PNG
(3N,3N-dimethyl-2-(4-aminophenyl)-1-oxo-7-(2-pyridy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c(C(=O)N(C)C)n(-c2ccc(N)cc2)c(=O)c2cc(OCc3ccccn3)ccc12
Show InChI InChI=1S/C33H32N4O6/c1-36(2)33(39)30-29(20-16-27(40-3)31(42-5)28(17-20)41-4)25-14-13-24(43-19-22-8-6-7-15-35-22)18-26(25)32(38)37(30)23-11-9-21(34)10-12-23/h6-18H,19,34H2,1-5H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine heart Phosphodiesterase 3 (PDE3)


J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair