Found 87 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Caspase-1
(Homo sapiens (Human)) | BDBM50175326
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H33N5O8S/c37-26-16-24(31(41)44-26)34-28(38)25-18-35(45(42,43)21-10-2-1-3-11-21)17-20-9-5-7-13-23(30(40)36(20)25)33-29(39)27-22-12-6-4-8-19(22)14-15-32-27/h1-4,6,8,10-12,14-15,20,23-25,31,41H,5,7,9,13,16-18H2,(H,33,39)(H,34,38)/t20-,23-,24-,25-,31?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175348
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H34N4O8S/c37-28-17-26(32(41)44-28)34-30(39)27-19-35(45(42,43)24-11-2-1-3-12-24)18-23-10-6-7-13-25(31(40)36(23)27)33-29(38)22-15-14-20-8-4-5-9-21(20)16-22/h1-5,8-9,11-12,14-16,23,25-27,32,41H,6-7,10,13,17-19H2,(H,33,38)(H,34,39)/t23-,25-,26-,27-,32?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175323
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)C(=O)OCc1ccccc1 |c:17| Show InChI InChI=1S/C34H34N4O8/c39-29-17-27(33(43)46-29)36-31(41)28-19-37(34(44)45-20-21-8-2-1-3-9-21)18-25-12-6-7-13-26(32(42)38(25)28)35-30(40)24-15-14-22-10-4-5-11-23(22)16-24/h1-11,14-16,25-28,33,43H,12-13,17-20H2,(H,35,40)(H,36,41)/b7-6-/t25-,26-,27-,28-,33?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175338
((4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12 Show InChI InChI=1S/C24H27N3O7S/c28-20-10-16(24(32)34-20)26-21(29)17-12-33-11-14-6-2-3-7-15(23(31)27(14)17)25-22(30)19-9-13-5-1-4-8-18(13)35-19/h1,4-5,8-9,14-17,24,32H,2-3,6-7,10-12H2,(H,25,30)(H,26,29)/t14-,15-,16-,17-,24?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175328
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)OCc1ccccc1 |c:17| Show InChI InChI=1S/C30H32N4O8/c35-25-15-23(29(39)42-25)32-27(37)24-17-33(30(40)41-18-19-9-3-1-4-10-19)16-21-13-7-8-14-22(28(38)34(21)24)31-26(36)20-11-5-2-6-12-20/h1-12,21-24,29,39H,13-18H2,(H,31,36)(H,32,37)/b8-7-/t21-,22-,23-,24-,29?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175340
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 Show InChI InChI=1S/C26H29N3O7/c30-22-12-20(26(34)36-22)28-24(32)21-14-35-13-18-7-3-4-8-19(25(33)29(18)21)27-23(31)17-10-9-15-5-1-2-6-16(15)11-17/h1-2,5-6,9-11,18-21,26,34H,3-4,7-8,12-14H2,(H,27,31)(H,28,32)/t18-,19-,20-,21-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175337
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C(=O)OCc1ccccc1 |c:17| Show InChI InChI=1S/C33H33N5O8/c39-27-16-25(32(43)46-27)36-29(40)26-18-37(33(44)45-19-20-8-2-1-3-9-20)17-22-11-5-7-13-24(31(42)38(22)26)35-30(41)28-23-12-6-4-10-21(23)14-15-34-28/h1-10,12,14-15,22,24-26,32,43H,11,13,16-19H2,(H,35,41)(H,36,40)/b7-5-/t22-,24-,25-,26-,32?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175329
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C25H29N5O6/c31-20-11-18(25(35)36-20)29-22(32)19-13-26-12-15-6-2-4-8-17(24(34)30(15)19)28-23(33)21-16-7-3-1-5-14(16)9-10-27-21/h1,3,5,7,9-10,15,17-19,25-26,35H,2,4,6,8,11-13H2,(H,28,33)(H,29,32)/t15-,17-,18-,19-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175347
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C26H31N5O8S/c1-40(37,38)30-13-16-7-3-5-9-18(28-24(34)22-17-8-4-2-6-15(17)10-11-27-22)25(35)31(16)20(14-30)23(33)29-19-12-21(32)39-26(19)36/h2,4,6,8,10-11,16,18-20,26,36H,3,5,7,9,12-14H2,1H3,(H,28,34)(H,29,33)/t16-,18-,19-,20-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175327
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C25H28N4O7/c30-20-11-18(25(34)36-20)28-22(31)19-13-35-12-15-6-2-4-8-17(24(33)29(15)19)27-23(32)21-16-7-3-1-5-14(16)9-10-26-21/h1,3,5,7,9-10,15,17-19,25,34H,2,4,6,8,11-13H2,(H,27,32)(H,28,31)/t15-,17-,18-,19-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175346
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C27H32N4O8S/c1-40(37,38)30-14-19-8-4-5-9-20(28-24(33)18-11-10-16-6-2-3-7-17(16)12-18)26(35)31(19)22(15-30)25(34)29-21-13-23(32)39-27(21)36/h2-3,6-7,10-12,19-22,27,36H,4-5,8-9,13-15H2,1H3,(H,28,33)(H,29,34)/t19-,20-,21-,22-,27?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175335
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 Show InChI InChI=1S/C26H30N4O6/c31-22-12-20(26(35)36-22)29-24(33)21-14-27-13-18-7-3-4-8-19(25(34)30(18)21)28-23(32)17-10-9-15-5-1-2-6-16(15)11-17/h1-2,5-6,9-11,18-21,26-27,35H,3-4,7-8,12-14H2,(H,28,32)(H,29,33)/t18-,19-,20-,21-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175345
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H32N4O8S/c33-24-15-22(28(37)40-24)30-26(35)23-17-31(41(38,39)20-12-5-2-6-13-20)16-19-11-7-8-14-21(27(36)32(19)23)29-25(34)18-9-3-1-4-10-18/h1-6,9-10,12-13,19,21-23,28,37H,7-8,11,14-17H2,(H,29,34)(H,30,35)/t19-,21-,22-,23-,28?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175333
((4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12 |c:17| Show InChI InChI=1S/C24H25N3O7S/c28-20-10-16(24(32)34-20)26-21(29)17-12-33-11-14-6-2-3-7-15(23(31)27(14)17)25-22(30)19-9-13-5-1-4-8-18(13)35-19/h1-5,8-9,14-17,24,32H,6-7,10-12H2,(H,25,30)(H,26,29)/b3-2-/t14-,15-,16-,17-,24?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175324
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 |c:17| Show InChI InChI=1S/C26H27N3O7/c30-22-12-20(26(34)36-22)28-24(32)21-14-35-13-18-7-3-4-8-19(25(33)29(18)21)27-23(31)17-10-9-15-5-1-2-6-16(15)11-17/h1-6,9-11,18-21,26,34H,7-8,12-14H2,(H,27,31)(H,28,32)/b4-3-/t18-,19-,20-,21-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175342
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 |c:17| Show InChI InChI=1S/C25H26N4O7/c30-20-11-18(25(34)36-20)28-22(31)19-13-35-12-15-6-2-4-8-17(24(33)29(15)19)27-23(32)21-16-7-3-1-5-14(16)9-10-26-21/h1-5,7,9-10,15,17-19,25,34H,6,8,11-13H2,(H,27,32)(H,28,31)/b4-2-/t15-,17-,18-,19-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175337
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C(=O)OCc1ccccc1 |c:17| Show InChI InChI=1S/C33H33N5O8/c39-27-16-25(32(43)46-27)36-29(40)26-18-37(33(44)45-19-20-8-2-1-3-9-20)17-22-11-5-7-13-24(31(42)38(22)26)35-30(41)28-23-12-6-4-10-21(23)14-15-34-28/h1-10,12,14-15,22,24-26,32,43H,11,13,16-19H2,(H,35,41)(H,36,40)/b7-5-/t22-,24-,25-,26-,32?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175323
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)C(=O)OCc1ccccc1 |c:17| Show InChI InChI=1S/C34H34N4O8/c39-29-17-27(33(43)46-29)36-31(41)28-19-37(34(44)45-20-21-8-2-1-3-9-21)18-25-12-6-7-13-26(32(42)38(25)28)35-30(40)24-15-14-22-10-4-5-11-23(22)16-24/h1-11,14-16,25-28,33,43H,12-13,17-20H2,(H,35,40)(H,36,41)/b7-6-/t25-,26-,27-,28-,33?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175341
((4S,7S,11aS)-7-benzamido-N4-((3S)-2-hydroxy-5-oxo-...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H33N5O7/c35-24-15-22(28(39)41-24)32-26(37)23-17-33(29(40)30-19-11-5-2-6-12-19)16-20-13-7-8-14-21(27(38)34(20)23)31-25(36)18-9-3-1-4-10-18/h1-6,9-12,20-23,28,39H,7-8,13-17H2,(H,30,40)(H,31,36)(H,32,37)/t20-,21-,22-,23-,28?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175330
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES CN1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H30N4O6/c1-26-12-15-9-5-6-10-16(24-20(29)14-7-3-2-4-8-14)22(31)27(15)18(13-26)21(30)25-17-11-19(28)33-23(17)32/h2-4,7-8,15-18,23,32H,5-6,9-13H2,1H3,(H,24,29)(H,25,30)/t15-,16-,17-,18-,23?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175332
((4S,7S,11aS)-2-acetyl-7-benzamido-N-((3S)-2-hydrox...)Show SMILES CC(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H30N4O7/c1-14(29)27-12-16-9-5-6-10-17(25-21(31)15-7-3-2-4-8-15)23(33)28(16)19(13-27)22(32)26-18-11-20(30)35-24(18)34/h2-4,7-8,16-19,24,34H,5-6,9-13H2,1H3,(H,25,31)(H,26,32)/t16-,17-,18-,19-,24?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175339
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H30N4O8S/c1-36(33,34)26-12-15-9-5-6-10-16(24-20(29)14-7-3-2-4-8-14)22(31)27(15)18(13-26)21(30)25-17-11-19(28)35-23(17)32/h2-4,7-8,15-18,23,32H,5-6,9-13H2,1H3,(H,24,29)(H,25,30)/t15-,16-,17-,18-,23?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175325
((4S,7S,11aS)-7-benzamido-2-benzoyl-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32N4O7/c34-24-15-22(29(39)40-24)31-26(36)23-17-32(27(37)19-11-5-2-6-12-19)16-20-13-7-8-14-21(28(38)33(20)23)30-25(35)18-9-3-1-4-10-18/h1-6,9-12,20-23,29,39H,7-8,13-17H2,(H,30,35)(H,31,36)/t20-,21-,22-,23-,29?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175334
((4S,7S,11aS)-7-(3-chlorobenzamido)-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)N12 |c:17| Show InChI InChI=1S/C22H24ClN3O7/c23-13-5-3-4-12(8-13)19(28)24-15-7-2-1-6-14-10-32-11-17(26(14)21(15)30)20(29)25-16-9-18(27)33-22(16)31/h1-5,8,14-17,22,31H,6-7,9-11H2,(H,24,28)(H,25,29)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175336
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cccc(c3)C(F)(F)F)C(=O)N12 |c:17| Show InChI InChI=1S/C23H24F3N3O7/c24-23(25,26)13-5-3-4-12(8-13)19(31)27-15-7-2-1-6-14-10-35-11-17(29(14)21(15)33)20(32)28-16-9-18(30)36-22(16)34/h1-5,8,14-17,22,34H,6-7,9-11H2,(H,27,31)(H,28,32)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175351
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12 Show InChI InChI=1S/C22H28N4O6/c27-18-10-16(22(31)32-18)25-20(29)17-12-23-11-14-8-4-5-9-15(21(30)26(14)17)24-19(28)13-6-2-1-3-7-13/h1-3,6-7,14-17,22-23,31H,4-5,8-12H2,(H,24,28)(H,25,29)/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175328
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)OCc1ccccc1 |c:17| Show InChI InChI=1S/C30H32N4O8/c35-25-15-23(29(39)42-25)32-27(37)24-17-33(30(40)41-18-19-9-3-1-4-10-19)16-21-13-7-8-14-22(28(38)34(21)24)31-26(36)20-11-5-2-6-12-20/h1-12,21-24,29,39H,13-18H2,(H,31,36)(H,32,37)/b8-7-/t21-,22-,23-,24-,29?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175331
((4S,7S,11aS)-7-(2-chlorobenzamido)-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3Cl)C(=O)N12 |c:17| Show InChI InChI=1S/C22H24ClN3O7/c23-14-7-3-2-6-13(14)19(28)24-15-8-4-1-5-12-10-32-11-17(26(12)21(15)30)20(29)25-16-9-18(27)33-22(16)31/h1-4,6-7,12,15-17,22,31H,5,8-11H2,(H,24,28)(H,25,29)/b4-1-/t12-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175325
((4S,7S,11aS)-7-benzamido-2-benzoyl-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32N4O7/c34-24-15-22(29(39)40-24)31-26(36)23-17-32(27(37)19-11-5-2-6-12-19)16-20-13-7-8-14-21(28(38)33(20)23)30-25(35)18-9-3-1-4-10-18/h1-6,9-12,20-23,29,39H,7-8,13-17H2,(H,30,35)(H,31,36)/t20-,21-,22-,23-,29?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175349
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3C(F)(F)F)C(=O)N12 |c:17| Show InChI InChI=1S/C23H24F3N3O7/c24-23(25,26)14-7-3-2-6-13(14)19(31)27-15-8-4-1-5-12-10-35-11-17(29(12)21(15)33)20(32)28-16-9-18(30)36-22(16)34/h1-4,6-7,12,15-17,22,34H,5,8-11H2,(H,27,31)(H,28,32)/b4-1-/t12-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175348
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H34N4O8S/c37-28-17-26(32(41)44-28)34-30(39)27-19-35(45(42,43)24-11-2-1-3-12-24)18-23-10-6-7-13-25(31(40)36(23)27)33-29(38)22-15-14-20-8-4-5-9-21(20)16-22/h1-5,8-9,11-12,14-16,23,25-27,32,41H,6-7,10,13,17-19H2,(H,33,38)(H,34,39)/t23-,25-,26-,27-,32?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175350
((4S,7S,11aS)-7-(4-chlorobenzamido)-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N12 |c:17| Show InChI InChI=1S/C22H24ClN3O7/c23-13-7-5-12(6-8-13)19(28)24-15-4-2-1-3-14-10-32-11-17(26(14)21(15)30)20(29)25-16-9-18(27)33-22(16)31/h1-2,5-8,14-17,22,31H,3-4,9-11H2,(H,24,28)(H,25,29)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175345
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H32N4O8S/c33-24-15-22(28(37)40-24)30-26(35)23-17-31(41(38,39)20-12-5-2-6-13-20)16-19-11-7-8-14-21(27(36)32(19)23)29-25(34)18-9-3-1-4-10-18/h1-6,9-10,12-13,19,21-23,28,37H,7-8,11,14-17H2,(H,29,34)(H,30,35)/t19-,21-,22-,23-,28?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175344
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12 |c:17| Show InChI InChI=1S/C22H25N3O7/c26-18-10-16(22(30)32-18)24-20(28)17-12-31-11-14-8-4-5-9-15(21(29)25(14)17)23-19(27)13-6-2-1-3-7-13/h1-7,14-17,22,30H,8-12H2,(H,23,27)(H,24,28)/b5-4-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50175343
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)N12 |c:17| Show InChI InChI=1S/C23H24F3N3O7/c24-23(25,26)13-7-5-12(6-8-13)19(31)27-15-4-2-1-3-14-10-35-11-17(29(14)21(15)33)20(32)28-16-9-18(30)36-22(16)34/h1-2,5-8,14-17,22,34H,3-4,9-11H2,(H,27,31)(H,28,32)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 1 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175326
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H33N5O8S/c37-26-16-24(31(41)44-26)34-28(38)25-18-35(45(42,43)21-10-2-1-3-11-21)17-20-9-5-7-13-23(30(40)36(20)25)33-29(39)27-22-12-6-4-8-19(22)14-15-32-27/h1-4,6,8,10-12,14-15,20,23-25,31,41H,5,7,9,13,16-18H2,(H,33,39)(H,34,38)/t20-,23-,24-,25-,31?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175330
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES CN1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H30N4O6/c1-26-12-15-9-5-6-10-16(24-20(29)14-7-3-2-4-8-14)22(31)27(15)18(13-26)21(30)25-17-11-19(28)33-23(17)32/h2-4,7-8,15-18,23,32H,5-6,9-13H2,1H3,(H,24,29)(H,25,30)/t15-,16-,17-,18-,23?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 247 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175327
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C25H28N4O7/c30-20-11-18(25(34)36-20)28-22(31)19-13-35-12-15-6-2-4-8-17(24(33)29(15)19)27-23(32)21-16-7-3-1-5-14(16)9-10-26-21/h1,3,5,7,9-10,15,17-19,25,34H,2,4,6,8,11-13H2,(H,27,32)(H,28,31)/t15-,17-,18-,19-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 264 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175346
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C27H32N4O8S/c1-40(37,38)30-14-19-8-4-5-9-20(28-24(33)18-11-10-16-6-2-3-7-17(16)12-18)26(35)31(19)22(15-30)25(34)29-21-13-23(32)39-27(21)36/h2-3,6-7,10-12,19-22,27,36H,4-5,8-9,13-15H2,1H3,(H,28,33)(H,29,34)/t19-,20-,21-,22-,27?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 283 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175339
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H30N4O8S/c1-36(33,34)26-12-15-9-5-6-10-16(24-20(29)14-7-3-2-4-8-14)22(31)27(15)18(13-26)21(30)25-17-11-19(28)35-23(17)32/h2-4,7-8,15-18,23,32H,5-6,9-13H2,1H3,(H,24,29)(H,25,30)/t15-,16-,17-,18-,23?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175351
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12 Show InChI InChI=1S/C22H28N4O6/c27-18-10-16(22(31)32-18)25-20(29)17-12-23-11-14-8-4-5-9-15(21(30)26(14)17)24-19(28)13-6-2-1-3-7-13/h1-3,6-7,14-17,22-23,31H,4-5,8-12H2,(H,24,28)(H,25,29)/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175338
((4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12 Show InChI InChI=1S/C24H27N3O7S/c28-20-10-16(24(32)34-20)26-21(29)17-12-33-11-14-6-2-3-7-15(23(31)27(14)17)25-22(30)19-9-13-5-1-4-8-18(13)35-19/h1,4-5,8-9,14-17,24,32H,2-3,6-7,10-12H2,(H,25,30)(H,26,29)/t14-,15-,16-,17-,24?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 429 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175331
((4S,7S,11aS)-7-(2-chlorobenzamido)-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3Cl)C(=O)N12 |c:17| Show InChI InChI=1S/C22H24ClN3O7/c23-14-7-3-2-6-13(14)19(28)24-15-8-4-1-5-12-10-32-11-17(26(12)21(15)30)20(29)25-16-9-18(27)33-22(16)31/h1-4,6-7,12,15-17,22,31H,5,8-11H2,(H,24,28)(H,25,29)/b4-1-/t12-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 448 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175332
((4S,7S,11aS)-2-acetyl-7-benzamido-N-((3S)-2-hydrox...)Show SMILES CC(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H30N4O7/c1-14(29)27-12-16-9-5-6-10-17(25-21(31)15-7-3-2-4-8-15)23(33)28(16)19(13-27)22(32)26-18-11-20(30)35-24(18)34/h2-4,7-8,16-19,24,34H,5-6,9-13H2,1H3,(H,25,31)(H,26,32)/t16-,17-,18-,19-,24?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 481 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175335
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 Show InChI InChI=1S/C26H30N4O6/c31-22-12-20(26(35)36-22)29-24(33)21-14-27-13-18-7-3-4-8-19(25(34)30(18)21)28-23(32)17-10-9-15-5-1-2-6-16(15)11-17/h1-2,5-6,9-11,18-21,26-27,35H,3-4,7-8,12-14H2,(H,28,32)(H,29,33)/t18-,19-,20-,21-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 506 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175329
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C25H29N5O6/c31-20-11-18(25(35)36-20)29-22(32)19-13-26-12-15-6-2-4-8-17(24(34)30(15)19)28-23(33)21-16-7-3-1-5-14(16)9-10-27-21/h1,3,5,7,9-10,15,17-19,25-26,35H,2,4,6,8,11-13H2,(H,28,33)(H,29,32)/t15-,17-,18-,19-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 595 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175341
((4S,7S,11aS)-7-benzamido-N4-((3S)-2-hydroxy-5-oxo-...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H33N5O7/c35-24-15-22(28(39)41-24)32-26(37)23-17-33(29(40)30-19-11-5-2-6-12-19)16-20-13-7-8-14-21(27(38)34(20)23)31-25(36)18-9-3-1-4-10-18/h1-6,9-12,20-23,28,39H,7-8,13-17H2,(H,30,40)(H,31,36)(H,32,37)/t20-,21-,22-,23-,28?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 601 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175349
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3C(F)(F)F)C(=O)N12 |c:17| Show InChI InChI=1S/C23H24F3N3O7/c24-23(25,26)14-7-3-2-6-13(14)19(31)27-15-8-4-1-5-12-10-35-11-17(29(12)21(15)33)20(32)28-16-9-18(30)36-22(16)34/h1-4,6-7,12,15-17,22,34H,5,8-11H2,(H,27,31)(H,28,32)/b4-1-/t12-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175340
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 Show InChI InChI=1S/C26H29N3O7/c30-22-12-20(26(34)36-22)28-24(32)21-14-35-13-18-7-3-4-8-19(25(33)29(18)21)27-23(31)17-10-9-15-5-1-2-6-16(15)11-17/h1-2,5-6,9-11,18-21,26,34H,3-4,7-8,12-14H2,(H,27,31)(H,28,32)/t18-,19-,20-,21-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 911 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175347
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C26H31N5O8S/c1-40(37,38)30-13-16-7-3-5-9-18(28-24(34)22-17-8-4-2-6-15(17)10-11-27-22)25(35)31(16)20(14-30)23(33)29-19-12-21(32)39-26(19)36/h2,4,6,8,10-11,16,18-20,26,36H,3,5,7,9,12-14H2,1H3,(H,28,34)(H,29,33)/t16-,18-,19-,20-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 917 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175334
((4S,7S,11aS)-7-(3-chlorobenzamido)-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)N12 |c:17| Show InChI InChI=1S/C22H24ClN3O7/c23-13-5-3-4-12(8-13)19(28)24-15-7-2-1-6-14-10-32-11-17(26(14)21(15)30)20(29)25-16-9-18(27)33-22(16)31/h1-5,8,14-17,22,31H,6-7,9-11H2,(H,24,28)(H,25,29)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175342
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 |c:17| Show InChI InChI=1S/C25H26N4O7/c30-20-11-18(25(34)36-20)28-22(31)19-13-35-12-15-6-2-4-8-17(24(33)29(15)19)27-23(32)21-16-7-3-1-5-14(16)9-10-26-21/h1-5,7,9-10,15,17-19,25,34H,6,8,11-13H2,(H,27,32)(H,28,31)/b4-2-/t15-,17-,18-,19-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175333
((4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12 |c:17| Show InChI InChI=1S/C24H25N3O7S/c28-20-10-16(24(32)34-20)26-21(29)17-12-33-11-14-6-2-3-7-15(23(31)27(14)17)25-22(30)19-9-13-5-1-4-8-18(13)35-19/h1-5,8-9,14-17,24,32H,6-7,10-12H2,(H,25,30)(H,26,29)/b3-2-/t14-,15-,16-,17-,24?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175324
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 |c:17| Show InChI InChI=1S/C26H27N3O7/c30-22-12-20(26(34)36-22)28-24(32)21-14-35-13-18-7-3-4-8-19(25(33)29(18)21)27-23(31)17-10-9-15-5-1-2-6-16(15)11-17/h1-6,9-11,18-21,26,34H,7-8,12-14H2,(H,27,31)(H,28,32)/b4-3-/t18-,19-,20-,21-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175328
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)OCc1ccccc1 |c:17| Show InChI InChI=1S/C30H32N4O8/c35-25-15-23(29(39)42-25)32-27(37)24-17-33(30(40)41-18-19-9-3-1-4-10-19)16-21-13-7-8-14-22(28(38)34(21)24)31-26(36)20-11-5-2-6-12-20/h1-12,21-24,29,39H,13-18H2,(H,31,36)(H,32,37)/b8-7-/t21-,22-,23-,24-,29?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175350
((4S,7S,11aS)-7-(4-chlorobenzamido)-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N12 |c:17| Show InChI InChI=1S/C22H24ClN3O7/c23-13-7-5-12(6-8-13)19(28)24-15-4-2-1-3-14-10-32-11-17(26(14)21(15)30)20(29)25-16-9-18(27)33-22(16)31/h1-2,5-8,14-17,22,31H,3-4,9-11H2,(H,24,28)(H,25,29)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175336
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cccc(c3)C(F)(F)F)C(=O)N12 |c:17| Show InChI InChI=1S/C23H24F3N3O7/c24-23(25,26)13-5-3-4-12(8-13)19(31)27-15-7-2-1-6-14-10-35-11-17(29(14)21(15)33)20(32)28-16-9-18(30)36-22(16)34/h1-5,8,14-17,22,34H,6-7,9-11H2,(H,27,31)(H,28,32)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175323
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)C(=O)OCc1ccccc1 |c:17| Show InChI InChI=1S/C34H34N4O8/c39-29-17-27(33(43)46-29)36-31(41)28-19-37(34(44)45-20-21-8-2-1-3-9-21)18-25-12-6-7-13-26(32(42)38(25)28)35-30(40)24-15-14-22-10-4-5-11-23(22)16-24/h1-11,14-16,25-28,33,43H,12-13,17-20H2,(H,35,40)(H,36,41)/b7-6-/t25-,26-,27-,28-,33?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175343
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)N12 |c:17| Show InChI InChI=1S/C23H24F3N3O7/c24-23(25,26)13-7-5-12(6-8-13)19(31)27-15-4-2-1-3-14-10-35-11-17(29(14)21(15)33)20(32)28-16-9-18(30)36-22(16)34/h1-2,5-8,14-17,22,34H,3-4,9-11H2,(H,27,31)(H,28,32)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50175344
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12 |c:17| Show InChI InChI=1S/C22H25N3O7/c26-18-10-16(22(30)32-18)24-20(28)17-12-31-11-14-8-4-5-9-15(21(29)25(14)17)23-19(27)13-6-2-1-3-7-13/h1-7,14-17,22,30H,8-12H2,(H,23,27)(H,24,28)/b5-4-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 8 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175325
((4S,7S,11aS)-7-benzamido-2-benzoyl-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32N4O7/c34-24-15-22(29(39)40-24)31-26(36)23-17-32(27(37)19-11-5-2-6-12-19)16-20-13-7-8-14-21(28(38)33(20)23)30-25(35)18-9-3-1-4-10-18/h1-6,9-12,20-23,29,39H,7-8,13-17H2,(H,30,35)(H,31,36)/t20-,21-,22-,23-,29?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175339
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H30N4O8S/c1-36(33,34)26-12-15-9-5-6-10-16(24-20(29)14-7-3-2-4-8-14)22(31)27(15)18(13-26)21(30)25-17-11-19(28)35-23(17)32/h2-4,7-8,15-18,23,32H,5-6,9-13H2,1H3,(H,24,29)(H,25,30)/t15-,16-,17-,18-,23?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175341
((4S,7S,11aS)-7-benzamido-N4-((3S)-2-hydroxy-5-oxo-...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H33N5O7/c35-24-15-22(28(39)41-24)32-26(37)23-17-33(29(40)30-19-11-5-2-6-12-19)16-20-13-7-8-14-21(27(38)34(20)23)31-25(36)18-9-3-1-4-10-18/h1-6,9-12,20-23,28,39H,7-8,13-17H2,(H,30,40)(H,31,36)(H,32,37)/t20-,21-,22-,23-,28?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175326
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H33N5O8S/c37-26-16-24(31(41)44-26)34-28(38)25-18-35(45(42,43)21-10-2-1-3-11-21)17-20-9-5-7-13-23(30(40)36(20)25)33-29(39)27-22-12-6-4-8-19(22)14-15-32-27/h1-4,6,8,10-12,14-15,20,23-25,31,41H,5,7,9,13,16-18H2,(H,33,39)(H,34,38)/t20-,23-,24-,25-,31?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175334
((4S,7S,11aS)-7-(3-chlorobenzamido)-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)N12 |c:17| Show InChI InChI=1S/C22H24ClN3O7/c23-13-5-3-4-12(8-13)19(28)24-15-7-2-1-6-14-10-32-11-17(26(14)21(15)30)20(29)25-16-9-18(27)33-22(16)31/h1-5,8,14-17,22,31H,6-7,9-11H2,(H,24,28)(H,25,29)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175349
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3C(F)(F)F)C(=O)N12 |c:17| Show InChI InChI=1S/C23H24F3N3O7/c24-23(25,26)14-7-3-2-6-13(14)19(31)27-15-8-4-1-5-12-10-35-11-17(29(12)21(15)33)20(32)28-16-9-18(30)36-22(16)34/h1-4,6-7,12,15-17,22,34H,5,8-11H2,(H,27,31)(H,28,32)/b4-1-/t12-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175330
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES CN1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H30N4O6/c1-26-12-15-9-5-6-10-16(24-20(29)14-7-3-2-4-8-14)22(31)27(15)18(13-26)21(30)25-17-11-19(28)33-23(17)32/h2-4,7-8,15-18,23,32H,5-6,9-13H2,1H3,(H,24,29)(H,25,30)/t15-,16-,17-,18-,23?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175350
((4S,7S,11aS)-7-(4-chlorobenzamido)-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N12 |c:17| Show InChI InChI=1S/C22H24ClN3O7/c23-13-7-5-12(6-8-13)19(28)24-15-4-2-1-3-14-10-32-11-17(26(14)21(15)30)20(29)25-16-9-18(27)33-22(16)31/h1-2,5-8,14-17,22,31H,3-4,9-11H2,(H,24,28)(H,25,29)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175333
((4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12 |c:17| Show InChI InChI=1S/C24H25N3O7S/c28-20-10-16(24(32)34-20)26-21(29)17-12-33-11-14-6-2-3-7-15(23(31)27(14)17)25-22(30)19-9-13-5-1-4-8-18(13)35-19/h1-5,8-9,14-17,24,32H,6-7,10-12H2,(H,25,30)(H,26,29)/b3-2-/t14-,15-,16-,17-,24?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175332
((4S,7S,11aS)-2-acetyl-7-benzamido-N-((3S)-2-hydrox...)Show SMILES CC(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H30N4O7/c1-14(29)27-12-16-9-5-6-10-17(25-21(31)15-7-3-2-4-8-15)23(33)28(16)19(13-27)22(32)26-18-11-20(30)35-24(18)34/h2-4,7-8,16-19,24,34H,5-6,9-13H2,1H3,(H,25,31)(H,26,32)/t16-,17-,18-,19-,24?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175324
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 |c:17| Show InChI InChI=1S/C26H27N3O7/c30-22-12-20(26(34)36-22)28-24(32)21-14-35-13-18-7-3-4-8-19(25(33)29(18)21)27-23(31)17-10-9-15-5-1-2-6-16(15)11-17/h1-6,9-11,18-21,26,34H,7-8,12-14H2,(H,27,31)(H,28,32)/b4-3-/t18-,19-,20-,21-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175343
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)N12 |c:17| Show InChI InChI=1S/C23H24F3N3O7/c24-23(25,26)13-7-5-12(6-8-13)19(31)27-15-4-2-1-3-14-10-35-11-17(29(14)21(15)33)20(32)28-16-9-18(30)36-22(16)34/h1-2,5-8,14-17,22,34H,3-4,9-11H2,(H,27,31)(H,28,32)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175344
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12 |c:17| Show InChI InChI=1S/C22H25N3O7/c26-18-10-16(22(30)32-18)24-20(28)17-12-31-11-14-8-4-5-9-15(21(29)25(14)17)23-19(27)13-6-2-1-3-7-13/h1-7,14-17,22,30H,8-12H2,(H,23,27)(H,24,28)/b5-4-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175331
((4S,7S,11aS)-7-(2-chlorobenzamido)-N-((3S)-2-hydro...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3Cl)C(=O)N12 |c:17| Show InChI InChI=1S/C22H24ClN3O7/c23-14-7-3-2-6-13(14)19(28)24-15-8-4-1-5-12-10-32-11-17(26(12)21(15)30)20(29)25-16-9-18(27)33-22(16)31/h1-4,6-7,12,15-17,22,31H,5,8-11H2,(H,24,28)(H,25,29)/b4-1-/t12-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175342
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 |c:17| Show InChI InChI=1S/C25H26N4O7/c30-20-11-18(25(34)36-20)28-22(31)19-13-35-12-15-6-2-4-8-17(24(33)29(15)19)27-23(32)21-16-7-3-1-5-14(16)9-10-26-21/h1-5,7,9-10,15,17-19,25,34H,6,8,11-13H2,(H,27,32)(H,28,31)/b4-2-/t15-,17-,18-,19-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175340
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 Show InChI InChI=1S/C26H29N3O7/c30-22-12-20(26(34)36-22)28-24(32)21-14-35-13-18-7-3-4-8-19(25(33)29(18)21)27-23(31)17-10-9-15-5-1-2-6-16(15)11-17/h1-2,5-6,9-11,18-21,26,34H,3-4,7-8,12-14H2,(H,27,31)(H,28,32)/t18-,19-,20-,21-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175345
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H32N4O8S/c33-24-15-22(28(37)40-24)30-26(35)23-17-31(41(38,39)20-12-5-2-6-13-20)16-19-11-7-8-14-21(27(36)32(19)23)29-25(34)18-9-3-1-4-10-18/h1-6,9-10,12-13,19,21-23,28,37H,7-8,11,14-17H2,(H,29,34)(H,30,35)/t19-,21-,22-,23-,28?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175327
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C25H28N4O7/c30-20-11-18(25(34)36-20)28-22(31)19-13-35-12-15-6-2-4-8-17(24(33)29(15)19)27-23(32)21-16-7-3-1-5-14(16)9-10-26-21/h1,3,5,7,9-10,15,17-19,25,34H,2,4,6,8,11-13H2,(H,27,32)(H,28,31)/t15-,17-,18-,19-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175346
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C27H32N4O8S/c1-40(37,38)30-14-19-8-4-5-9-20(28-24(33)18-11-10-16-6-2-3-7-17(16)12-18)26(35)31(19)22(15-30)25(34)29-21-13-23(32)39-27(21)36/h2-3,6-7,10-12,19-22,27,36H,4-5,8-9,13-15H2,1H3,(H,28,33)(H,29,34)/t19-,20-,21-,22-,27?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175348
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H34N4O8S/c37-28-17-26(32(41)44-28)34-30(39)27-19-35(45(42,43)24-11-2-1-3-12-24)18-23-10-6-7-13-25(31(40)36(23)27)33-29(38)22-15-14-20-8-4-5-9-21(20)16-22/h1-5,8-9,11-12,14-16,23,25-27,32,41H,6-7,10,13,17-19H2,(H,33,38)(H,34,39)/t23-,25-,26-,27-,32?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175336
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cccc(c3)C(F)(F)F)C(=O)N12 |c:17| Show InChI InChI=1S/C23H24F3N3O7/c24-23(25,26)13-5-3-4-12(8-13)19(31)27-15-7-2-1-6-14-10-35-11-17(29(14)21(15)33)20(32)28-16-9-18(30)36-22(16)34/h1-5,8,14-17,22,34H,6-7,9-11H2,(H,27,31)(H,28,32)/b2-1-/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175347
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C26H31N5O8S/c1-40(37,38)30-13-16-7-3-5-9-18(28-24(34)22-17-8-4-2-6-15(17)10-11-27-22)25(35)31(16)20(14-30)23(33)29-19-12-21(32)39-26(19)36/h2,4,6,8,10-11,16,18-20,26,36H,3,5,7,9,12-14H2,1H3,(H,28,34)(H,29,33)/t16-,18-,19-,20-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175338
((4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12 Show InChI InChI=1S/C24H27N3O7S/c28-20-10-16(24(32)34-20)26-21(29)17-12-33-11-14-6-2-3-7-15(23(31)27(14)17)25-22(30)19-9-13-5-1-4-8-18(13)35-19/h1,4-5,8-9,14-17,24,32H,2-3,6-7,10-12H2,(H,25,30)(H,26,29)/t14-,15-,16-,17-,24?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175335
((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 Show InChI InChI=1S/C26H30N4O6/c31-22-12-20(26(35)36-22)29-24(33)21-14-27-13-18-7-3-4-8-19(25(34)30(18)21)28-23(32)17-10-9-15-5-1-2-6-16(15)11-17/h1-2,5-6,9-11,18-21,26-27,35H,3-4,7-8,12-14H2,(H,28,32)(H,29,33)/t18-,19-,20-,21-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175329
((4S,7S,11aS)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofur...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 Show InChI InChI=1S/C25H29N5O6/c31-20-11-18(25(35)36-20)29-22(32)19-13-26-12-15-6-2-4-8-17(24(34)30(15)19)28-23(33)21-16-7-3-1-5-14(16)9-10-27-21/h1,3,5,7,9-10,15,17-19,25-26,35H,2,4,6,8,11-13H2,(H,28,33)(H,29,32)/t15-,17-,18-,19-,25?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175351
((4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12 Show InChI InChI=1S/C22H28N4O6/c27-18-10-16(22(31)32-18)25-20(29)17-12-23-11-14-8-4-5-9-15(21(30)26(14)17)24-19(28)13-6-2-1-3-7-13/h1-3,6-7,14-17,22-23,31H,4-5,8-12H2,(H,24,28)(H,25,29)/t14-,15-,16-,17-,22?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50175337
((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C(=O)OCc1ccccc1 |c:17| Show InChI InChI=1S/C33H33N5O8/c39-27-16-25(32(43)46-27)36-29(40)26-18-37(33(44)45-19-20-8-2-1-3-9-20)17-22-11-5-7-13-24(31(42)38(22)26)35-30(41)28-23-12-6-4-10-21(23)14-15-34-28/h1-10,12,14-15,22,24-26,32,43H,11,13,16-19H2,(H,35,41)(H,36,40)/b7-5-/t22-,24-,25-,26-,32?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Caspase 3 |
Bioorg Med Chem Lett 15: 5434-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.109
BindingDB Entry DOI: 10.7270/Q21G0KTJ |
More data for this
Ligand-Target Pair | |
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