BindingDB logo
myBDB logout

null

SMILES: [#6]-[#6@H]-1-[#6](=O)-[#7]-c2ccc(cc-12)-c1csc(\[#7]=[#6](\[#7])-[#7])n1

InChI Key: InChIKey=CQUNHLZVPLLHNG-ZCFIWIBFSA-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 4 hits for monomerid = 50426303   
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-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50426303
PNG
(CHEMBL2312697)
Show SMILES [#6]-[#6@H]-1-[#6](=O)-[#7]-c2ccc(cc-12)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |r|
Show InChI InChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.15E+5n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PAD4 (unknown origin) at 37 degC


J Med Chem 56: 1715-22 (2013)


Article DOI: 10.1021/jm301755q
BindingDB Entry DOI: 10.7270/Q2ZS2XTX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50426303
PNG
(CHEMBL2312697)
Show SMILES [#6]-[#6@H]-1-[#6](=O)-[#7]-c2ccc(cc-12)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |r|
Show InChI InChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.31E+5n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PAD4 (unknown origin) at 52 degC


J Med Chem 56: 1715-22 (2013)


Article DOI: 10.1021/jm301755q
BindingDB Entry DOI: 10.7270/Q2ZS2XTX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50426303
PNG
(CHEMBL2312697)
Show SMILES [#6]-[#6@H]-1-[#6](=O)-[#7]-c2ccc(cc-12)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |r|
Show InChI InChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.32E+6n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PAD4 (unknown origin) at 37 degC


J Med Chem 56: 1715-22 (2013)


Article DOI: 10.1021/jm301755q
BindingDB Entry DOI: 10.7270/Q2ZS2XTX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50426303
PNG
(CHEMBL2312697)
Show SMILES [#6]-[#6@H]-1-[#6](=O)-[#7]-c2ccc(cc-12)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |r|
Show InChI InChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.65E+6n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PAD4 (unknown origin) at 52 degC


J Med Chem 56: 1715-22 (2013)


Article DOI: 10.1021/jm301755q
BindingDB Entry DOI: 10.7270/Q2ZS2XTX
More data for this
Ligand-Target Pair