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Compile Data Set for Download or QSAR

Found 4 hits from Celltech R& D, Granta Park, Great Abington, Cambridge, UK.   
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 7


(Homo sapiens (Human))
BDBM50219334
PNG
(CHEMBL267102)
Show SMILES Nc1nc(O)c2nc(Br)n(C3CCCc4cccc(Br)c34)c2n1
Show InChI InChI=1S/C15H13Br2N5O/c16-8-5-1-3-7-4-2-6-9(10(7)8)22-12-11(19-14(22)17)13(23)21-15(18)20-12/h1,3,5,9H,2,4,6H2,(H3,18,20,21,23)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.31E+3n/an/an/an/an/an/a



Celltech R& D, Granta Park, Great Abington, Cambridge, UK.

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 7 of HUT-78 cells


Bioorg Med Chem Lett 11: 1081-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00125-1
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50219333
PNG
(CHEMBL11073)
Show SMILES Nc1nc(O)c2nc(Br)n(C3CCCc4ccc(cc34)[N+]([O-])=O)c2n1
Show InChI InChI=1S/C15H13BrN6O3/c16-14-18-11-12(19-15(17)20-13(11)23)21(14)10-3-1-2-7-4-5-8(22(24)25)6-9(7)10/h4-6,10H,1-3H2,(H3,17,19,20,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.31E+3n/an/an/an/an/an/a



Celltech R& D, Granta Park, Great Abington, Cambridge, UK.

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 7 of HUT-78 cells


Bioorg Med Chem Lett 11: 1081-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00125-1
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50219336
PNG
(CHEMBL11499)
Show SMILES COc1ccc2CCCC(c2c1)n1c(Br)nc2c(O)nc(N)nc12
Show InChI InChI=1S/C16H16BrN5O2/c1-24-9-6-5-8-3-2-4-11(10(8)7-9)22-13-12(19-15(22)17)14(23)21-16(18)20-13/h5-7,11H,2-4H2,1H3,(H3,18,20,21,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.22E+3n/an/an/an/an/an/a



Celltech R& D, Granta Park, Great Abington, Cambridge, UK.

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 7 of HUT-78 cells


Bioorg Med Chem Lett 11: 1081-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00125-1
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50219335
PNG
(CHEMBL11511)
Show SMILES Nc1nc(O)c2nc(Br)n(C3CCCc4ccccc34)c2n1
Show InChI InChI=1S/C15H14BrN5O/c16-14-18-11-12(19-15(17)20-13(11)22)21(14)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H3,17,19,20,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.88E+3n/an/an/an/an/an/a



Celltech R& D, Granta Park, Great Abington, Cambridge, UK.

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 7 of HUT-78 cells


Bioorg Med Chem Lett 11: 1081-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00125-1
More data for this
Ligand-Target Pair