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BDBM50217551 CHEMBL419791

SMILES: Cc1cc2CCN3c2c(c1)C(=N[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C3=O)c1ccccc1

InChI Key: InChIKey=ARDFFCMLUIODAO-QHCPKHFHSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50217551   
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 4C


(Rattus norvegicus)
BDBM50217551
PNG
(CHEMBL419791)
Show SMILES Cc1cc2CCN3c2c(c1)C(=N[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C3=O)c1ccccc1
Show InChI InChI=1S/C25H19Cl2N3O2/c1-14-11-16-9-10-30-22(16)19(12-14)21(15-5-3-2-4-6-15)28-23(25(30)32)29-24(31)18-8-7-17(26)13-20(18)27/h2-8,11-13,23H,9-10H2,1H3,(H,29,31)/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Institut de Recherche Jouveinal-Parke Davis

Curated by ChEMBL


Assay Description
Binding affinity against high affinity rolipram binding site (HARBS) was determined by displacing radioactive [3H]rolipram from brain membrane suspen...


Bioorg Med Chem Lett 10: 35-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00573-9
BindingDB Entry DOI: 10.7270/Q25Q4Z9J
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM50217551
PNG
(CHEMBL419791)
Show SMILES Cc1cc2CCN3c2c(c1)C(=N[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C3=O)c1ccccc1
Show InChI InChI=1S/C25H19Cl2N3O2/c1-14-11-16-9-10-30-22(16)19(12-14)21(15-5-3-2-4-6-15)28-23(25(30)32)29-24(31)18-8-7-17(26)13-20(18)27/h2-8,11-13,23H,9-10H2,1H3,(H,29,31)/t23-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institut de Recherche Jouveinal-Parke Davis

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 1/5 (PDE1/5) extracted from guinea pig trachea smooth muscle cells by using radioligands [3H]-cAMP or [...


Bioorg Med Chem Lett 10: 35-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00573-9
BindingDB Entry DOI: 10.7270/Q25Q4Z9J
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50217551
PNG
(CHEMBL419791)
Show SMILES Cc1cc2CCN3c2c(c1)C(=N[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C3=O)c1ccccc1
Show InChI InChI=1S/C25H19Cl2N3O2/c1-14-11-16-9-10-30-22(16)19(12-14)21(15-5-3-2-4-6-15)28-23(25(30)32)29-24(31)18-8-7-17(26)13-20(18)27/h2-8,11-13,23H,9-10H2,1H3,(H,29,31)/t23-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.75E+4n/an/an/an/an/an/a



Institut de Recherche Jouveinal-Parke Davis

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3 extracted from dog aorta smooth muscle cells by using radioligands [3H]cAMP or [3H]-cGMP.


Bioorg Med Chem Lett 10: 35-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00573-9
BindingDB Entry DOI: 10.7270/Q25Q4Z9J
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50217551
PNG
(CHEMBL419791)
Show SMILES Cc1cc2CCN3c2c(c1)C(=N[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C3=O)c1ccccc1
Show InChI InChI=1S/C25H19Cl2N3O2/c1-14-11-16-9-10-30-22(16)19(12-14)21(15-5-3-2-4-6-15)28-23(25(30)32)29-24(31)18-8-7-17(26)13-20(18)27/h2-8,11-13,23H,9-10H2,1H3,(H,29,31)/t23-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Institut de Recherche Jouveinal-Parke Davis

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 extracted from human U937 cells by using radioligands [3H]-cAMP or [3H]cGMP.


Bioorg Med Chem Lett 10: 35-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00573-9
BindingDB Entry DOI: 10.7270/Q25Q4Z9J
More data for this
Ligand-Target Pair