BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'ross' and Initial = 'bc'   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50072292
PNG
((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1
Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0200n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072285
PNG
((3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1
Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042653
PNG
(7-[3-Bromo-4,5-bis-(4-fluoro-phenyl)-2-isopropyl-p...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(C(C)C)c(Br)c(c1-c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H28BrF2NO4/c1-16(2)26-25(28)24(17-4-8-19(29)9-5-17)27(18-6-10-20(30)11-7-18)31(26)13-12-21(32)14-22(33)15-23(34)35-3/h4-13,16,21-22,32-33H,14-15H2,1-3H3/b13-12+/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042654
PNG
(7-[3-(3-Bromo-phenyl)-2-(4-fluoro-phenyl)-5-isopro...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1cccc(Br)c1)C(C)C
Show InChI InChI=1S/C27H29BrFNO4/c1-17(2)25-16-24(19-5-4-6-20(28)13-19)27(18-7-9-21(29)10-8-18)30(25)12-11-22(31)14-23(32)15-26(33)34-3/h4-13,16-17,22-23,31-32H,14-15H2,1-3H3/b12-11+/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072289
PNG
((3S,3aR,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahy...)
Show SMILES CC(C)=CC(=O)C[C@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072283
PNG
((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12+,13+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042652
PNG
(7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-pyridin-2-yl-...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccccn1)C(C)C
Show InChI InChI=1S/C26H29FN2O4/c1-17(2)24-16-22(23-6-4-5-12-28-23)26(18-7-9-19(27)10-8-18)29(24)13-11-20(30)14-21(31)15-25(32)33-3/h4-13,16-17,20-21,30-31H,14-15H2,1-3H3/b13-11+/t20-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072286
PNG
((3R,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Cc1ccccc1
Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042656
PNG
(7-[2,3-Bis-(4-fluoro-phenyl)-5-isopropyl-pyrrol-1-...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C27H29F2NO4/c1-17(2)25-16-24(18-4-8-20(28)9-5-18)27(19-6-10-21(29)11-7-19)30(25)13-12-22(31)14-23(32)15-26(33)34-3/h4-13,16-17,22-23,31-32H,14-15H2,1-3H3/b13-12+/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042650
PNG
(7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-phenyl-pyrrol...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccccc1)C(C)C
Show InChI InChI=1S/C27H30FNO4/c1-18(2)25-17-24(19-7-5-4-6-8-19)27(20-9-11-21(28)12-10-20)29(25)14-13-22(30)15-23(31)16-26(32)33-3/h4-14,17-18,22-23,30-31H,15-16H2,1-3H3/b14-13+/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042646
PNG
(7-[3-(3-Chloro-phenyl)-2-(4-fluoro-phenyl)-5-isopr...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1cccc(Cl)c1)C(C)C
Show InChI InChI=1S/C27H29ClFNO4/c1-17(2)25-16-24(19-5-4-6-20(28)13-19)27(18-7-9-21(29)10-8-18)30(25)12-11-22(31)14-23(32)15-26(33)34-3/h4-13,16-17,22-23,31-32H,14-15H2,1-3H3/b12-11+/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072284
PNG
((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Show SMILES CC(C)=CC(=O)C[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5[C@@]6(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@@]23C)OC6=O)OC1=O
Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042647
PNG
(7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-pyridin-4-yl-...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccncc1)C(C)C
Show InChI InChI=1S/C26H29FN2O4/c1-17(2)24-16-23(18-8-11-28-12-9-18)26(19-4-6-20(27)7-5-19)29(24)13-10-21(30)14-22(31)15-25(32)33-3/h4-13,16-17,21-22,30-31H,14-15H2,1-3H3/b13-10+/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50006412
PNG
((3R,5R)-3,5-dihydroxy-7-((1S,2S,6S,8S,8aR)-6-hydro...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC([O-])=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,16?,17-,18+,19-,20-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072285
PNG
((3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1
Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50072290
PNG
((3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...)
Show SMILES C=CC[C@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072292
PNG
((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1
Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072287
PNG
((3S,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahydro-...)
Show SMILES CC(C)=CC(=O)C[C@H]1C2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10?,11-,12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072289
PNG
((3S,3aR,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahy...)
Show SMILES CC(C)=CC(=O)C[C@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042645
PNG
(7-[3-(4-Fluoro-phenyl)-5-isopropyl-2-phenyl-pyrrol...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccccc1)-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C27H30FNO4/c1-18(2)25-17-24(19-9-11-21(28)12-10-19)27(20-7-5-4-6-8-20)29(25)14-13-22(30)15-23(31)16-26(32)33-3/h4-14,17-18,22-23,30-31H,15-16H2,1-3H3/b14-13+/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072290
PNG
((3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...)
Show SMILES C=CC[C@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072287
PNG
((3S,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahydro-...)
Show SMILES CC(C)=CC(=O)C[C@H]1C2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10?,11-,12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50072282
PNG
((3R,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...)
Show SMILES C=CC[C@@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8-,9+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072293
PNG
(5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Show SMILES NC(=N)CCCC[C@@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14)/t8-,9-,10+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072282
PNG
((3R,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...)
Show SMILES C=CC[C@@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8-,9+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072282
PNG
((3R,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...)
Show SMILES C=CC[C@@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8-,9+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>50n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042649
PNG
(7-[2-(3-Bromo-phenyl)-3-(4-fluoro-phenyl)-5-isopro...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1cccc(Br)c1)-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C27H29BrFNO4/c1-17(2)25-16-24(18-7-9-21(29)10-8-18)27(19-5-4-6-20(28)13-19)30(25)12-11-22(31)14-23(32)15-26(33)34-3/h4-13,16-17,22-23,31-32H,14-15H2,1-3H3/b12-11+/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072284
PNG
((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Show SMILES CC(C)=CC(=O)C[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5[C@@]6(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@@]23C)OC6=O)OC1=O
Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Coagulation factor X


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin C


(Homo sapiens (Human))
BDBM50072284
PNG
((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Show SMILES CC(C)=CC(=O)C[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5[C@@]6(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@@]23C)OC6=O)OC1=O
Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042651
PNG
(7-[2-(3-Chloro-phenyl)-3-(4-fluoro-phenyl)-5-isopr...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1cccc(Cl)c1)-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C27H29ClFNO4/c1-17(2)25-16-24(18-7-9-21(29)10-8-18)27(19-5-4-6-20(28)13-19)30(25)12-11-22(31)14-23(32)15-26(33)34-3/h4-13,16-17,22-23,31-32H,14-15H2,1-3H3/b12-11+/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072283
PNG
((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12+,13+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072286
PNG
((3R,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Cc1ccccc1
Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 92n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072290
PNG
((3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...)
Show SMILES C=CC[C@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50072283
PNG
((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12+,13+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50072292
PNG
((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1
Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50072285
PNG
((3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1
Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50072289
PNG
((3S,3aR,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahy...)
Show SMILES CC(C)=CC(=O)C[C@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50072286
PNG
((3R,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Cc1ccccc1
Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042655
PNG
(7-[2,3-Bis-(4-fluoro-phenyl)-5-isopropyl-pyrrol-1-...)
Show SMILES COC(=O)C[C@H](O)C[C@H](O)CCn1c(cc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C27H31F2NO4/c1-17(2)25-16-24(18-4-8-20(28)9-5-18)27(19-6-10-21(29)11-7-19)30(25)13-12-22(31)14-23(32)15-26(33)34-3/h4-11,16-17,22-23,31-32H,12-15H2,1-3H3/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 105n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072293
PNG
(5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Show SMILES NC(=N)CCCC[C@@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14)/t8-,9-,10+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072291
PNG
(4-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Show SMILES NC(=N)c1ccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)cc1
Show InChI InChI=1S/C15H18N2O2/c16-14(17)10-6-4-9(5-7-10)8-12-11-2-1-3-13(11)19-15(12)18/h4-7,11-13H,1-3,8H2,(H3,16,17)/t11-,12-,13+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072288
PNG
(3-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Show SMILES NC(=N)c1cccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)c1
Show InChI InChI=1S/C15H18N2O2/c16-14(17)10-4-1-3-9(7-10)8-12-11-5-2-6-13(11)19-15(12)18/h1,3-4,7,11-13H,2,5-6,8H2,(H3,16,17)/t11-,12-,13+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50072284
PNG
((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Show SMILES CC(C)=CC(=O)C[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5[C@@]6(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@@]23C)OC6=O)OC1=O
Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human leukocyte elastase(HLE).


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072291
PNG
(4-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Show SMILES NC(=N)c1ccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)cc1
Show InChI InChI=1S/C15H18N2O2/c16-14(17)10-6-4-9(5-7-10)8-12-11-2-1-3-13(11)19-15(12)18/h4-7,11-13H,1-3,8H2,(H3,16,17)/t11-,12-,13+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.68E+4n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50072284
PNG
((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Show SMILES CC(C)=CC(=O)C[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5[C@@]6(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@@]23C)OC6=O)OC1=O
Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50072291
PNG
(4-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Show SMILES NC(=N)c1ccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)cc1
Show InChI InChI=1S/C15H18N2O2/c16-14(17)10-6-4-9(5-7-10)8-12-11-2-1-3-13(11)19-15(12)18/h4-7,11-13H,1-3,8H2,(H3,16,17)/t11-,12-,13+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.03E+4n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50072288
PNG
(3-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Show SMILES NC(=N)c1cccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)c1
Show InChI InChI=1S/C15H18N2O2/c16-14(17)10-4-1-3-9(7-10)8-12-11-5-2-6-13(11)19-15(12)18/h1,3-4,7,11-13H,2,5-6,8H2,(H3,16,17)/t11-,12-,13+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50072288
PNG
(3-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Show SMILES NC(=N)c1cccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)c1
Show InChI InChI=1S/C15H18N2O2/c16-14(17)10-4-1-3-9(7-10)8-12-11-5-2-6-13(11)19-15(12)18/h1,3-4,7,11-13H,2,5-6,8H2,(H3,16,17)/t11-,12-,13+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50072293
PNG
(5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Show SMILES NC(=N)CCCC[C@@H]1[C@H]2CCC[C@@H]2OC1=O
Show InChI InChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14)/t8-,9-,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 104 total )  |  Next  |  Last  >>
Jump to: