BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 15 hits from Chiroscience Ltd, Cambridge.   
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-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of Rolipram binding to PDE4 at 1 uM


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216236
PNG
(CHEMBL89860)
Show SMILES CCn1cc(C(=O)NCCc2ccncc2)c(=S)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3OS/c1-2-26-12-16(19(27)25-10-7-13-5-8-24-9-6-13)18(28)15-11-14(20(21,22)23)3-4-17(15)26/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216235
PNG
(CHEMBL89569)
Show SMILES CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O2/c1-2-26-13-17(20(28)25-11-10-14-6-4-3-5-7-14)19(27)16-12-15(21(22,23)24)8-9-18(16)26/h3-9,12-13H,2,10-11H2,1H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216237
PNG
(CHEMBL90054)
Show SMILES CCn1cc(C(=O)NC2CCc3cc(OC)c(OC)cc23)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4/c1-4-29-12-17(22(30)16-10-14(24(25,26)27)6-8-19(16)29)23(31)28-18-7-5-13-9-20(32-2)21(33-3)11-15(13)18/h6,8-12,18H,4-5,7H2,1-3H3,(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216225
PNG
(CHEMBL89127)
Show SMILES CCn1cc(C(=O)N\N=C\c2ccccc2Cl)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C20H15ClF3N3O2/c1-2-27-11-15(19(29)26-25-10-12-5-3-4-6-16(12)21)18(28)14-9-13(20(22,23)24)7-8-17(14)27/h3-11H,2H2,1H3,(H,26,29)/b25-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216240
PNG
(CHEMBL89510)
Show SMILES CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cnc(nc12)N1CCCC1
Show InChI InChI=1S/C21H24N6O2/c1-2-26-14-17(20(29)23-10-7-15-5-8-22-9-6-15)18(28)16-13-24-21(25-19(16)26)27-11-3-4-12-27/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3,(H,23,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216223
PNG
(CHEMBL89708)
Show SMILES CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O2/c1-2-26-12-16(19(28)25-10-7-13-5-8-24-9-6-13)18(27)15-11-14(20(21,22)23)3-4-17(15)26/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216258
PNG
(CHEMBL542902)
Show SMILES Cl.CCCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2.ClH/c1-2-11-27-13-17(20(29)26-10-7-14-5-8-25-9-6-14)19(28)16-12-15(21(22,23)24)3-4-18(16)27;/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,26,29);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216239
PNG
(CHEMBL262644)
Show SMILES CCn1cc(C(=O)NC2CCc3cc(NC(C)=O)ccc23)c(=O)c2cnc(nc12)N1CCCC1
Show InChI InChI=1S/C25H28N6O3/c1-3-30-14-20(22(33)19-13-26-25(29-23(19)30)31-10-4-5-11-31)24(34)28-21-9-6-16-12-17(27-15(2)32)7-8-18(16)21/h7-8,12-14,21H,3-6,9-11H2,1-2H3,(H,27,32)(H,28,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216257
PNG
(CHEMBL316165)
Show SMILES CC1CCc2cc(F)cc3c2n1cc(C(=O)NCCc1ccncc1)c3=O
Show InChI InChI=1S/C21H20FN3O2/c1-13-2-3-15-10-16(22)11-17-19(15)25(13)12-18(20(17)26)21(27)24-9-6-14-4-7-23-8-5-14/h4-5,7-8,10-13H,2-3,6,9H2,1H3,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216225
PNG
(CHEMBL89127)
Show SMILES CCn1cc(C(=O)N\N=C\c2ccccc2Cl)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C20H15ClF3N3O2/c1-2-27-11-15(19(29)26-25-10-12-5-3-4-6-16(12)21)18(28)14-9-13(20(22,23)24)7-8-17(14)27/h3-11H,2H2,1H3,(H,26,29)/b25-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of Rolipram binding to PDE4 at 1 uM


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216258
PNG
(CHEMBL542902)
Show SMILES Cl.CCCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O2.ClH/c1-2-11-27-13-17(20(29)26-10-7-14-5-8-25-9-6-14)19(28)16-12-15(21(22,23)24)3-4-18(16)27;/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,26,29);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of Rolipram binding to PDE4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216224
PNG
(CHEMBL89606)
Show SMILES CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc3OCOc3cc12
Show InChI InChI=1S/C20H19N3O4/c1-2-23-11-15(20(25)22-8-5-13-3-6-21-7-4-13)19(24)14-9-17-18(10-16(14)23)27-12-26-17/h3-4,6-7,9-11H,2,5,8,12H2,1H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216238
PNG
(CHEMBL90328)
Show SMILES CCn1cc(C(=O)N(C)CCc2ccccc2)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C22H21F3N2O2/c1-3-27-14-18(21(29)26(2)12-11-15-7-5-4-6-8-15)20(28)17-13-16(22(23,24)25)9-10-19(17)27/h4-10,13-14H,3,11-12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



Chiroscience Ltd, Cambridge.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2629-34 (1998)


Article DOI: 10.1016/s0960-894x(98)00490-9
More data for this
Ligand-Target Pair