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BDBM50215937 CHEMBL299332

SMILES: Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl

InChI Key: InChIKey=DFLNUZZIKCRVBO-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 = 50215937   
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215937
PNG
(CHEMBL299332)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C22H23Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)26-21-18(23)10-25-11-19(21)24/h7-12,15H,2-6,13H2,1H3,(H,25,26,28)
PDB

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PubMed
120n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4)


Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215937
PNG
(CHEMBL299332)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C22H23Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)26-21-18(23)10-25-11-19(21)24/h7-12,15H,2-6,13H2,1H3,(H,25,26,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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antibodypedia
antibodypedia
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PC sid
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PubMed
120n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay


Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215937
PNG
(CHEMBL299332)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C22H23Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)26-21-18(23)10-25-11-19(21)24/h7-12,15H,2-6,13H2,1H3,(H,25,26,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
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PC cid
PC sid
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PubMed
n/an/a 100n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase type IV (PDE4) obtained from guinea-pig macrophage was evaluated


Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215937
PNG
(CHEMBL299332)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C22H23Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)26-21-18(23)10-25-11-19(21)24/h7-12,15H,2-6,13H2,1H3,(H,25,26,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase type IV (PDE4) activity


Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair