new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'holman' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415001
PNG
(CHEMBL570015 | GSK-256066 | GSK-256066 (3))
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.00794n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414999
PNG
(CHEMBL569791)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C26H24N4O5S/c1-30(2)26(32)16-6-4-9-19(12-16)36(33,34)20-10-11-23-21(14-20)24(22(15-28-23)25(27)31)29-17-7-5-8-18(13-17)35-3/h4-15H,1-3H3,(H2,27,31)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415009
PNG
(CHEMBL571381)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1
Show InChI InChI=1S/C25H23N3O5S/c1-15-11-20(34(30,31)19-9-7-17(32-2)8-10-19)13-21-23(15)27-14-22(25(26)29)24(21)28-16-5-4-6-18(12-16)33-3/h4-14H,1-3H3,(H2,26,29)(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415008
PNG
(CHEMBL584327)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-15-11-19(32(29,30)18-9-4-3-5-10-18)13-20-22(15)26-14-21(24(25)28)23(20)27-16-7-6-8-17(12-16)31-2/h3-14H,1-2H3,(H2,25,28)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414998
PNG
(CHEMBL569556)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1
Show InChI InChI=1S/C24H21N3O5S/c1-31-16-6-8-18(9-7-16)33(29,30)19-10-11-22-20(13-19)23(21(14-26-22)24(25)28)27-15-4-3-5-17(12-15)32-2/h3-14H,1-2H3,(H2,25,28)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.126n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 0.398n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415007
PNG
(CHEMBL571171)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccc(cc2)C(C)(C)C)C(N)=O)c1
Show InChI InChI=1S/C27H27N3O4S/c1-27(2,3)17-8-10-20(11-9-17)35(32,33)21-12-13-24-22(15-21)25(23(16-29-24)26(28)31)30-18-6-5-7-19(14-18)34-4/h5-16H,1-4H3,(H2,28,31)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.631n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414992
PNG
(CHEMBL576479)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C19H20N4O4S/c1-23(2)28(25,26)14-7-8-17-15(10-14)18(16(11-21-17)19(20)24)22-12-5-4-6-13(9-12)27-3/h4-11H,1-3H3,(H2,20,24)(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.794n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM591
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C48H58N8O6S2/c1-47(2)39(55-45(63-47)37(41(59)51-29-33-21-13-7-14-22-33)53-35(57)27-31-17-9-5-10-18-31)43(61)49-25-26-50-44(62)40-48(3,4)64-46(56-40)38(42(60)52-30-34-23-15-8-16-24-34)54-36(58)28-32-19-11-6-12-20-32/h5-24,37-40,45-46,55-56H,25-30H2,1-4H3,(H,49,61)(H,50,62)(H,51,59)(H,52,60)(H,53,57)(H,54,58)/t37-,38-,39+,40+,45-,46-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.900n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415000
PNG
(CHEMBL570029)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccc(cc2)-c2ccoc2)C(N)=O)c1
Show InChI InChI=1S/C27H21N3O5S/c1-34-20-4-2-3-19(13-20)30-26-23-14-22(9-10-25(23)29-15-24(26)27(28)31)36(32,33)21-7-5-17(6-8-21)18-11-12-35-16-18/h2-16H,1H3,(H2,28,31)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.58n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413291
PNG
(CHEMBL515240)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C23H19N3O4S/c1-30-16-7-5-6-15(12-16)26-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.58n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415004
PNG
(CHEMBL571593)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)N2CCOCC2)C(N)=O)c1
Show InChI InChI=1S/C21H22N4O5S/c1-29-15-4-2-3-14(11-15)24-20-17-12-16(31(27,28)25-7-9-30-10-8-25)5-6-19(17)23-13-18(20)21(22)26/h2-6,11-13H,7-10H2,1H3,(H2,22,26)(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415006
PNG
(CHEMBL585528)
Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1ccc2ncsc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H16N4O3S2/c24-23(28)18-12-25-19-9-7-16(32(29,30)15-4-2-1-3-5-15)11-17(19)22(18)27-14-6-8-20-21(10-14)31-13-26-20/h1-13H,(H2,24,28)(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414994
PNG
(CHEMBL571386)
Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C#N)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H16N4O3S/c24-13-15-5-4-6-16(11-15)27-22-19-12-18(31(29,30)17-7-2-1-3-8-17)9-10-21(19)26-14-20(22)23(25)28/h1-12,14H,(H2,25,28)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414989
PNG
(CHEMBL585937)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)C2CCCC2)C(N)=O)c1
Show InChI InChI=1S/C22H23N3O4S/c1-29-15-6-4-5-14(11-15)25-21-18-12-17(30(27,28)16-7-2-3-8-16)9-10-20(18)24-13-19(21)22(23)26/h4-6,9-13,16H,2-3,7-8H2,1H3,(H2,23,26)(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50413298
PNG
(CHEMBL462150)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C(N)=O)c1
Show InChI InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037825
PNG
(1N-ethyl-2-benzylcarboxamido-2-[4-{2-[2-benzylcarb...)
Show SMILES CCNC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC)C(C)(C)S1
Show InChI InChI=1S/C38H54N8O6S2/c1-7-39-31(49)27(43-25(47)21-23-15-11-9-12-16-23)35-45-29(37(3,4)53-35)33(51)41-19-20-42-34(52)30-38(5,6)54-36(46-30)28(32(50)40-8-2)44-26(48)22-24-17-13-10-14-18-24/h9-18,27-30,35-36,45-46H,7-8,19-22H2,1-6H3,(H,39,49)(H,40,50)(H,41,51)(H,42,52)(H,43,47)(H,44,48)/t27-,28?,29+,30+,35-,36-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM636
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)NCC(O)CNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C49H60N8O7S2/c1-48(2)40(56-46(65-48)38(42(61)50-27-33-21-13-7-14-22-33)54-36(59)25-31-17-9-5-10-18-31)44(63)52-29-35(58)30-53-45(64)41-49(3,4)66-47(57-41)39(43(62)51-28-34-23-15-8-16-24-34)55-37(60)26-32-19-11-6-12-20-32/h5-24,35,38-41,46-47,56-58H,25-30H2,1-4H3,(H,50,61)(H,51,62)(H,52,63)(H,53,64)(H,54,59)(H,55,60)/t38-,39-,40+,41+,46-,47-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415005
PNG
(CHEMBL569352)
Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H17N3O3S/c23-22(26)19-14-24-20-12-11-17(29(27,28)16-9-5-2-6-10-16)13-18(20)21(19)25-15-7-3-1-4-8-15/h1-14H,(H2,23,26)(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414993
PNG
(CHEMBL571594)
Show SMILES CCc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C24H21N3O3S/c1-2-16-7-6-8-17(13-16)27-23-20-14-19(31(29,30)18-9-4-3-5-10-18)11-12-22(20)26-15-21(23)24(25)28/h3-15H,2H2,1H3,(H2,25,28)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 11n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414997
PNG
(CHEMBL569555)
Show SMILES Cc1coc2CCCC(Nc3c(cnc4ccc(cc34)S(=O)(=O)c3ccccc3)C(N)=O)c12
Show InChI InChI=1S/C25H23N3O4S/c1-15-14-32-22-9-5-8-21(23(15)22)28-24-18-12-17(33(30,31)16-6-3-2-4-7-16)10-11-20(18)27-13-19(24)25(26)29/h2-4,6-7,10-14,21H,5,8-9H2,1H3,(H2,26,29)(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037842
PNG
(4N-(tert-butyl)-3-{3-[2-benzylcarbamoyl(benzylcarb...)
Show SMILES CC(C)(C)NC(=O)[C@H]1N(CC(O)CNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)CSC1(C)C
Show InChI InChI=1S/C36H52N6O5S2/c1-34(2,3)41-32(47)29-36(6,7)48-22-42(29)21-25(43)20-38-31(46)28-35(4,5)49-33(40-28)27(30(45)37-19-24-16-12-9-13-17-24)39-26(44)18-23-14-10-8-11-15-23/h8-17,25,27-29,33,40,43H,18-22H2,1-7H3,(H,37,45)(H,38,46)(H,39,44)(H,41,47)/t25?,27-,28+,29-,33-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 21n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037832
PNG
((3S,4aS,8aS)-2-[(S)-3-({(2R,4S)-2-[Carbamoyl-((S)-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H52N6O5S/c1-32(2,3)38-29(43)24-16-21-13-9-10-14-22(21)18-39(24)19-23(40)17-35-30(44)27-33(4,5)45-31(37-27)26(28(34)42)36-25(41)15-20-11-7-6-8-12-20/h6-8,11-12,21-24,26-27,31,37,40H,9-10,13-19H2,1-5H3,(H2,34,42)(H,35,44)(H,36,41)(H,38,43)/t21-,22+,23-,24-,26?,27-,31+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 23n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037817
PNG
((3S,4aS,8aS)-2-[(S)-3-({(2R,4S)-2-[Benzylcarbamoyl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H58N6O5S/c1-39(2,3)45-35(49)31-21-28-18-12-13-19-29(28)24-46(31)25-30(47)23-42-37(51)34-40(4,5)52-38(44-34)33(36(50)41-22-27-16-10-7-11-17-27)43-32(48)20-26-14-8-6-9-15-26/h6-11,14-17,28-31,33-34,38,44,47H,12-13,18-25H2,1-5H3,(H,41,50)(H,42,51)(H,43,48)(H,45,49)/t28-,29+,30-,31-,33?,34-,38+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 23n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414991
PNG
(CHEMBL569790)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)C(=O)N2CCOCC2)C(N)=O)c1
Show InChI InChI=1S/C22H22N4O4/c1-29-16-4-2-3-15(12-16)25-20-17-11-14(22(28)26-7-9-30-10-8-26)5-6-19(17)24-13-18(20)21(23)27/h2-6,11-13H,7-10H2,1H3,(H2,23,27)(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037833
PNG
((3S,4aS,8aS)-2-[(S)-3-({(2R,4S)-2-[(4-Dimethylamin...)
Show SMILES CN(C)c1ccc(CNC(=O)C(NC(=O)Cc2ccccc2)[C@@H]2N[C@@H](C(=O)NC[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)C(C)(C)S2)cc1
Show InChI InChI=1S/C42H63N7O5S/c1-41(2,3)47-37(52)33-22-29-15-11-12-16-30(29)25-49(33)26-32(50)24-44-39(54)36-42(4,5)55-40(46-36)35(45-34(51)21-27-13-9-8-10-14-27)38(53)43-23-28-17-19-31(20-18-28)48(6)7/h8-10,13-14,17-20,29-30,32-33,35-36,40,46,50H,11-12,15-16,21-26H2,1-7H3,(H,43,53)(H,44,54)(H,45,51)(H,47,52)/t29-,30+,32-,33-,35?,36-,40+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 26n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037819
PNG
((3S,4aS,8aS)-2-[3-({(2R,4S)-2-[Ethylcarbamoyl-((S)...)
Show SMILES CCNC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCC(O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1
Show InChI InChI=1S/C35H56N6O5S/c1-7-36-31(45)28(38-27(43)17-22-13-9-8-10-14-22)33-39-29(35(5,6)47-33)32(46)37-19-25(42)21-41-20-24-16-12-11-15-23(24)18-26(41)30(44)40-34(2,3)4/h8-10,13-14,23-26,28-29,33,39,42H,7,11-12,15-21H2,1-6H3,(H,36,45)(H,37,46)(H,38,43)(H,40,44)/t23-,24+,25?,26-,28?,29-,33+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 31n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415003
PNG
(CHEMBL570956)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C20H20N4O3/c1-24(2)20(26)12-7-8-17-15(9-12)18(16(11-22-17)19(21)25)23-13-5-4-6-14(10-13)27-3/h4-11H,1-3H3,(H2,21,25)(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414996
PNG
(CHEMBL571170)
Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1cccnc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H16N4O3S/c22-21(26)18-13-24-19-9-8-16(29(27,28)15-6-2-1-3-7-15)11-17(19)20(18)25-14-5-4-10-23-12-14/h1-13H,(H2,22,26)(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414995
PNG
(CHEMBL585537)
Show SMILES NC(=O)c1cnc2ccc(cc2c1NC1CCCCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H23N3O3S/c23-22(26)19-14-24-20-12-11-17(29(27,28)16-9-5-2-6-10-16)13-18(20)21(19)25-15-7-3-1-4-8-15/h2,5-6,9-15H,1,3-4,7-8H2,(H2,23,26)(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50042058
PNG
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=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)/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037824
PNG
(CHEMBL122641 | {(2R,4S)-4-[(S)-3-((3S,4aS,8aS)-3-t...)
Show SMILES COC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1
Show InChI InChI=1S/C34H53N5O6S/c1-33(2,3)38-29(42)25-17-22-14-10-11-15-23(22)19-39(25)20-24(40)18-35-30(43)28-34(4,5)46-31(37-28)27(32(44)45-6)36-26(41)16-21-12-8-7-9-13-21/h7-9,12-13,22-25,27-28,31,37,40H,10-11,14-20H2,1-6H3,(H,35,43)(H,36,41)(H,38,42)/t22-,23+,24-,25-,27?,28-,31+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 54n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407257
PNG
(CHEMBL2112601)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C42H55N7O7S/c1-41(2,3)47-36(52)32-27-49(40(55)56-31-19-13-8-14-20-31)22-21-48(32)26-30(50)25-44-38(54)35-42(4,5)57-39(46-35)34(37(53)43-24-29-17-11-7-12-18-29)45-33(51)23-28-15-9-6-10-16-28/h6-20,30,32,34-35,39,46,50H,21-27H2,1-5H3,(H,43,53)(H,44,54)(H,45,51)(H,47,52)/t30-,32-,34?,35-,39+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 58n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407258
PNG
(CHEMBL2111802)
Show SMILES CC(C)(C)NC(=O)[C@H]1CN(CCN1C[C@@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C42H55N7O7S/c1-41(2,3)47-36(52)32-27-49(40(55)56-31-19-13-8-14-20-31)22-21-48(32)26-30(50)25-44-38(54)35-42(4,5)57-39(46-35)34(37(53)43-24-29-17-11-7-12-18-29)45-33(51)23-28-15-9-6-10-16-28/h6-20,30,32,34-35,39,46,50H,21-27H2,1-5H3,(H,43,53)(H,44,54)(H,45,51)(H,47,52)/t30-,32+,34?,35-,39+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 82n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037828
PNG
((3S,4aS,8aS)-2-[3-({(2R,4S)-2-[Heptylcarbamoyl-((S...)
Show SMILES CCCCCCCNC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCC(O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1
Show InChI InChI=1S/C40H66N6O5S/c1-7-8-9-10-16-21-41-36(50)33(43-32(48)22-27-17-12-11-13-18-27)38-44-34(40(5,6)52-38)37(51)42-24-30(47)26-46-25-29-20-15-14-19-28(29)23-31(46)35(49)45-39(2,3)4/h11-13,17-18,28-31,33-34,38,44,47H,7-10,14-16,19-26H2,1-6H3,(H,41,50)(H,42,51)(H,43,48)(H,45,49)/t28-,29+,30?,31-,33?,34-,38+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 86n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037835
PNG
(3-[(R)-3-({(2R,4S)-2-[Benzylcarbamoyl-((S)-phenyla...)
Show SMILES CC(C)(C)NC(=O)C1N(C[C@H](O)CNC(=O)[C@@H]2N[C@H](SC2(C)C)C(NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)SC1(C)C
Show InChI InChI=1S/C38H56N6O5S2/c1-35(2,3)43-33(49)30-37(6,7)51-38(8,9)44(30)23-26(45)22-40-32(48)29-36(4,5)50-34(42-29)28(31(47)39-21-25-18-14-11-15-19-25)41-27(46)20-24-16-12-10-13-17-24/h10-19,26,28-30,34,42,45H,20-23H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,43,49)/t26-,28?,29+,30?,34-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 93n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037818
PNG
(2-(3-{[5,5-Dimethyl-2-({2-[5-(2-oxo-hexahydro-thie...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C45H71N9O7S2/c1-44(2,3)53-39(58)32-22-28-15-9-10-16-29(28)24-54(32)25-30(55)23-48-41(60)38-45(4,5)63-42(52-38)37(50-35(57)21-27-13-7-6-8-14-27)40(59)47-20-19-46-34(56)18-12-11-17-33-36-31(26-62-33)49-43(61)51-36/h6-8,13-14,28-33,36-38,42,52,55H,9-12,15-26H2,1-5H3,(H,46,56)(H,47,59)(H,48,60)(H,50,57)(H,53,58)(H2,49,51,61)/t28-,29+,30?,31-,32-,33-,36-,37?,38-,42+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 120n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50414990
PNG
(CHEMBL571383)
Show SMILES COc1cccc(Nc2c(cnc3ccc(Sc4ccccc4)cc23)C(N)=O)c1
Show InChI InChI=1S/C23H19N3O2S/c1-28-16-7-5-6-15(12-16)26-22-19-13-18(29-17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037827
PNG
(CHEMBL125827 | {2-[2-{(2R,4S)-4-[3-((3S,4aS,8aS)-3...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C40H65N7O7S/c1-38(2,3)46-33(50)29-21-26-16-12-13-17-27(26)23-47(29)24-28(48)22-43-35(52)32-40(7,8)55-36(45-32)31(44-30(49)20-25-14-10-9-11-15-25)34(51)41-18-19-42-37(53)54-39(4,5)6/h9-11,14-15,26-29,31-32,36,45,48H,12-13,16-24H2,1-8H3,(H,41,51)(H,42,53)(H,43,52)(H,44,49)(H,46,50)/t26-,27+,28?,29-,31?,32-,36+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 160n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037841
PNG
((3S,4aS,8aS)-2-[(R)-3-({(2R,4S)-2-[Benzylcarbamoyl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H58N6O5S/c1-39(2,3)45-35(49)31-21-28-18-12-13-19-29(28)24-46(31)25-30(47)23-42-37(51)34-40(4,5)52-38(44-34)33(36(50)41-22-27-16-10-7-11-17-27)43-32(48)20-26-14-8-6-9-15-26/h6-11,14-17,28-31,33-34,38,44,47H,12-13,18-25H2,1-5H3,(H,41,50)(H,42,51)(H,43,48)(H,45,49)/t28-,29+,30+,31-,33?,34-,38+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 160n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037822
PNG
(3-[(S)-3-({(2R,4S)-2-[Benzylcarbamoyl-((S)-phenyla...)
Show SMILES CC(C)(C)NC(=O)C1N(C[C@@H](O)CNC(=O)[C@@H]2N[C@H](SC2(C)C)C(NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)SC1(C)C
Show InChI InChI=1S/C38H56N6O5S2/c1-35(2,3)43-33(49)30-37(6,7)51-38(8,9)44(30)23-26(45)22-40-32(48)29-36(4,5)50-34(42-29)28(31(47)39-21-25-18-14-11-15-19-25)41-27(46)20-24-16-12-10-13-17-24/h10-19,26,28-30,34,42,45H,20-23H2,1-9H3,(H,39,47)(H,40,48)(H,41,46)(H,43,49)/t26-,28?,29-,30?,34+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 190n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50415002
PNG
(CHEMBL576311)
Show SMILES COc1cccc(Nc2c(cnc3ccccc23)C(N)=O)c1
Show InChI InChI=1S/C17H15N3O2/c1-22-12-6-4-5-11(9-12)20-16-13-7-2-3-8-15(13)19-10-14(16)17(18)21/h2-10H,1H3,(H2,18,21)(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Bioorg Med Chem Lett 19: 5261-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.012
BindingDB Entry DOI: 10.7270/Q2K075HB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037834
PNG
((3S,4aS,8aS)-2-[(R)-3-({(2R,4S)-2-[(Cyclohexylmeth...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C40H64N6O5S/c1-39(2,3)45-35(49)31-21-28-18-12-13-19-29(28)24-46(31)25-30(47)23-42-37(51)34-40(4,5)52-38(44-34)33(36(50)41-22-27-16-10-7-11-17-27)43-32(48)20-26-14-8-6-9-15-26/h6,8-9,14-15,27-31,33-34,38,44,47H,7,10-13,16-25H2,1-5H3,(H,41,50)(H,42,51)(H,43,48)(H,45,49)/t28-,29+,30+,31-,33?,34-,38+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 300n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037830
PNG
((2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CSCN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H48N6O5S2/c1-33(2,3)39-29(43)25-20-46-21-40(25)19-24(41)18-36-31(45)28-34(4,5)47-32(38-28)27(30(44)35-17-23-14-10-7-11-15-23)37-26(42)16-22-12-8-6-9-13-22/h6-15,24-25,27-28,32,38,41H,16-21H2,1-5H3,(H,35,44)(H,36,45)(H,37,42)(H,39,43)/t24?,25-,27?,28-,32+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 450n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM635
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)NCCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C49H60N8O6S2/c1-48(2)40(56-46(64-48)38(42(60)52-30-34-22-13-7-14-23-34)54-36(58)28-32-18-9-5-10-19-32)44(62)50-26-17-27-51-45(63)41-49(3,4)65-47(57-41)39(43(61)53-31-35-24-15-8-16-25-35)55-37(59)29-33-20-11-6-12-21-33/h5-16,18-25,38-41,46-47,56-57H,17,26-31H2,1-4H3,(H,50,62)(H,51,63)(H,52,60)(H,53,61)(H,54,58)(H,55,59)/t38-,39-,40+,41+,46-,47-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 540n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037836
PNG
((2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C42H56N6O6S/c1-41(2,3)47-37(51)33-22-32(54-27-30-19-13-8-14-20-30)26-48(33)25-31(49)24-44-39(53)36-42(4,5)55-40(46-36)35(38(52)43-23-29-17-11-7-12-18-29)45-34(50)21-28-15-9-6-10-16-28/h6-20,31-33,35-36,40,46,49H,21-27H2,1-5H3,(H,43,52)(H,44,53)(H,45,50)(H,47,51)/t31?,32-,33-,35?,36-,40+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 650n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037839
PNG
((2R,4S)-2-[Ethylcarbamoyl-((S)-phenylacetylamino)-...)
Show SMILES CCNC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCC(O)CN(C)[C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1
Show InChI InChI=1S/C35H58N6O5S/c1-8-36-31(45)28(38-27(43)20-24-17-13-10-14-18-24)33-39-29(35(5,6)47-33)32(46)37-21-25(42)22-41(7)26(30(44)40-34(2,3)4)19-23-15-11-9-12-16-23/h10,13-14,17-18,23,25-26,28-29,33,39,42H,8-9,11-12,15-16,19-22H2,1-7H3,(H,36,45)(H,37,46)(H,38,43)(H,40,44)/t25?,26-,28?,29-,33+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 710n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037821
PNG
((2R,4S)-2-[Ethylcarbamoyl-((S)-phenylacetylamino)-...)
Show SMILES CCNC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCC(O)CN[C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1
Show InChI InChI=1S/C34H56N6O5S/c1-7-35-30(44)27(38-26(42)19-23-16-12-9-13-17-23)32-39-28(34(5,6)46-32)31(45)37-21-24(41)20-36-25(29(43)40-33(2,3)4)18-22-14-10-8-11-15-22/h9,12-13,16-17,22,24-25,27-28,32,36,39,41H,7-8,10-11,14-15,18-21H2,1-6H3,(H,35,44)(H,37,45)(H,38,42)(H,40,43)/t24?,25-,27?,28-,32+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50037829
PNG
((2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C35H50N6O5S/c1-34(2,3)40-30(44)26-17-12-18-41(26)22-25(42)21-37-32(46)29-35(4,5)47-33(39-29)28(31(45)36-20-24-15-10-7-11-16-24)38-27(43)19-23-13-8-6-9-14-23/h6-11,13-16,25-26,28-29,33,39,42H,12,17-22H2,1-5H3,(H,36,45)(H,37,46)(H,38,43)(H,40,44)/t25?,26-,28?,29-,33+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 59 total )  |  Next  |  Last  >>
Jump to: