Found 61 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)) | BDBM50189360
((1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-...)Show SMILES CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12 Show InChI InChI=1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189365
(CHEMBL212345 | N'-(2-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H23N3O6/c30-21-12-20(23(32)35-21)27-24(33)26(13-18-7-3-4-8-19(18)14-26)25(34)29-28-22(31)17-10-9-15-5-1-2-6-16(15)11-17/h1-11,20,23,32H,12-14H2,(H,27,33)(H,28,31)(H,29,34)/t20-,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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189375
(CHEMBL212981 | N-[(3S)-2-hydroxy-5-oxotetrahydrofu...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCC1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H23N3O6/c26-17-12-16(19(28)31-17)23-20(29)22(10-3-4-11-22)21(30)25-24-18(27)15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9,16,19,28H,3-4,10-12H2,(H,23,29)(H,24,27)(H,25,30)/t16-,19?/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189370
(CHEMBL212870 | N'-(2-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C26H23N3O6/c30-21-12-20(23(32)35-21)27-24(33)26(13-16-7-1-2-8-17(16)14-26)25(34)29-28-22(31)19-11-5-9-15-6-3-4-10-18(15)19/h1-11,20,23,32H,12-14H2,(H,27,33)(H,28,31)(H,29,34)/t20-,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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189360
((1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-...)Show SMILES CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12 Show InChI InChI=1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189376
(CHEMBL213952 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCC1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H21N3O6/c25-16-11-15(18(27)30-16)22-19(28)21(9-4-10-21)20(29)24-23-17(26)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,18,27H,4,9-11H2,(H,22,28)(H,23,26)(H,24,29)/t15-,18?/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
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189371
(CHEMBL209626 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H25N3O6/c27-18-13-17(20(29)32-18)24-21(30)23(11-4-1-5-12-23)22(31)26-25-19(28)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17,20,29H,1,4-5,11-13H2,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189371
(CHEMBL209626 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H25N3O6/c27-18-13-17(20(29)32-18)24-21(30)23(11-4-1-5-12-23)22(31)26-25-19(28)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17,20,29H,1,4-5,11-13H2,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189375
(CHEMBL212981 | N-[(3S)-2-hydroxy-5-oxotetrahydrofu...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCC1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H23N3O6/c26-17-12-16(19(28)31-17)23-20(29)22(10-3-4-11-22)21(30)25-24-18(27)15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9,16,19,28H,3-4,10-12H2,(H,23,29)(H,24,27)(H,25,30)/t16-,19?/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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189364
(CHEMBL211512 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H25N3O6/c27-18-13-17(20(29)32-18)24-21(30)23(10-4-1-5-11-23)22(31)26-25-19(28)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17,20,29H,1,4-5,10-11,13H2,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189376
(CHEMBL213952 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCC1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H21N3O6/c25-16-11-15(18(27)30-16)22-19(28)21(9-4-10-21)20(29)24-23-17(26)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,18,27H,4,9-11H2,(H,22,28)(H,23,26)(H,24,29)/t15-,18?/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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189363
(CHEMBL213784 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-4-2-5-11(8-10)14(23)20-21-17(26)18(6-3-7-18)16(25)19-12-9-13(22)27-15(12)24/h2,4-5,8,12,15,24H,3,6-7,9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189362
(CHEMBL214166 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H23N3O6/c26-17-12-16(19(28)31-17)23-20(29)22(9-3-4-10-22)21(30)25-24-18(27)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16,19,28H,3-4,9-10,12H2,(H,23,29)(H,24,27)(H,25,30)/t16-,19?/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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189372
(CHEMBL379764 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H23N3O7/c1-28-12-6-4-5-11(9-12)15(24)21-22-18(27)19(7-2-3-8-19)17(26)20-13-10-14(23)29-16(13)25/h4-6,9,13,16,25H,2-3,7-8,10H2,1H3,(H,20,26)(H,21,24)(H,22,27)/t13-,16?/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189359
(CHEMBL210114 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(C)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H27N3O6/c1-12-7-6-8-13(2)16(12)17(26)23-24-20(29)21(9-4-3-5-10-21)19(28)22-14-11-15(25)30-18(14)27/h6-8,14,18,27H,3-5,9-11H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)/t14-,18?/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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189368
(CHEMBL214215 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H25N3O7/c1-29-13-7-5-6-12(10-13)16(25)22-23-19(28)20(8-3-2-4-9-20)18(27)21-14-11-15(24)30-17(14)26/h5-7,10,14,17,26H,2-4,8-9,11H2,1H3,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189374
(CHEMBL210118 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H21N3O6/c25-16-11-15(18(27)30-16)22-19(28)21(8-3-9-21)20(29)24-23-17(26)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15,18,27H,3,8-9,11H2,(H,22,28)(H,23,26)(H,24,29)/t15-,18?/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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189369
(CHEMBL386240 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O7/c1-27-11-5-2-4-10(8-11)14(23)20-21-17(26)18(6-3-7-18)16(25)19-12-9-13(22)28-15(12)24/h2,4-5,8,12,15,24H,3,6-7,9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189366
(CHEMBL214044 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(OC)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H27N3O8/c1-30-13-7-6-8-14(31-2)16(13)17(26)23-24-20(29)21(9-4-3-5-10-21)19(28)22-12-11-15(25)32-18(12)27/h6-8,12,18,27H,3-5,9-11H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)/t12-,18?/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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189367
(CHEMBL213408 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1ccccc1C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-5-2-3-6-11(10)14(23)20-21-17(26)18(7-4-8-18)16(25)19-12-9-13(22)27-15(12)24/h2-3,5-6,12,15,24H,4,7-9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189367
(CHEMBL213408 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1ccccc1C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-5-2-3-6-11(10)14(23)20-21-17(26)18(7-4-8-18)16(25)19-12-9-13(22)27-15(12)24/h2-3,5-6,12,15,24H,4,7-9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189370
(CHEMBL212870 | N'-(2-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C26H23N3O6/c30-21-12-20(23(32)35-21)27-24(33)26(13-16-7-1-2-8-17(16)14-26)25(34)29-28-22(31)19-11-5-9-15-6-3-4-10-18(15)19/h1-11,20,23,32H,12-14H2,(H,27,33)(H,28,31)(H,29,34)/t20-,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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189361
(CHEMBL213965 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H25N3O6/c1-12-6-5-7-13(10-12)16(25)22-23-19(28)20(8-3-2-4-9-20)18(27)21-14-11-15(24)29-17(14)26/h5-7,10,14,17,26H,2-4,8-9,11H2,1H3,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189358
(2-(carbamoyl)-N'-(3-methylbenzoyl)-2,3-dihydro-1H-...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(Cc2ccccc2C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H23N3O6/c1-13-5-4-8-14(9-13)19(28)25-26-22(31)23(11-15-6-2-3-7-16(15)12-23)21(30)24-17-10-18(27)32-20(17)29/h2-9,17,20,29H,10-12H2,1H3,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189377
(CHEMBL210023 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(CCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H23N3O6/c1-11-5-4-6-12(9-11)15(24)21-22-18(27)19(7-2-3-8-19)17(26)20-13-10-14(23)28-16(13)25/h4-6,9,13,16,25H,2-3,7-8,10H2,1H3,(H,20,26)(H,21,24)(H,22,27)/t13-,16?/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 | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189378
(CHEMBL213553 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-3-5-11(6-4-10)14(23)20-21-17(26)18(7-2-8-18)16(25)19-12-9-13(22)27-15(12)24/h3-6,12,15,24H,2,7-9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189366
(CHEMBL214044 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(OC)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H27N3O8/c1-30-13-7-6-8-14(31-2)16(13)17(26)23-24-20(29)21(9-4-3-5-10-21)19(28)22-12-11-15(25)32-18(12)27/h6-8,12,18,27H,3-5,9-11H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)/t12-,18?/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 | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189372
(CHEMBL379764 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H23N3O7/c1-28-12-6-4-5-11(9-12)15(24)21-22-18(27)19(7-2-3-8-19)17(26)20-13-10-14(23)29-16(13)25/h4-6,9,13,16,25H,2-3,7-8,10H2,1H3,(H,20,26)(H,21,24)(H,22,27)/t13-,16?/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 | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189377
(CHEMBL210023 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(CCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H23N3O6/c1-11-5-4-6-12(9-11)15(24)21-22-18(27)19(7-2-3-8-19)17(26)20-13-10-14(23)28-16(13)25/h4-6,9,13,16,25H,2-3,7-8,10H2,1H3,(H,20,26)(H,21,24)(H,22,27)/t13-,16?/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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189368
(CHEMBL214215 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H25N3O7/c1-29-13-7-5-6-12(10-13)16(25)22-23-19(28)20(8-3-2-4-9-20)18(27)21-14-11-15(24)30-17(14)26/h5-7,10,14,17,26H,2-4,8-9,11H2,1H3,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189365
(CHEMBL212345 | N'-(2-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H23N3O6/c30-21-12-20(23(32)35-21)27-24(33)26(13-18-7-3-4-8-19(18)14-26)25(34)29-28-22(31)17-10-9-15-5-1-2-6-16(15)11-17/h1-11,20,23,32H,12-14H2,(H,27,33)(H,28,31)(H,29,34)/t20-,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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189369
(CHEMBL386240 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O7/c1-27-11-5-2-4-10(8-11)14(23)20-21-17(26)18(6-3-7-18)16(25)19-12-9-13(22)28-15(12)24/h2,4-5,8,12,15,24H,3,6-7,9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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 | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189364
(CHEMBL211512 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H25N3O6/c27-18-13-17(20(29)32-18)24-21(30)23(10-4-1-5-11-23)22(31)26-25-19(28)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17,20,29H,1,4-5,10-11,13H2,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189363
(CHEMBL213784 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-4-2-5-11(8-10)14(23)20-21-17(26)18(6-3-7-18)16(25)19-12-9-13(22)27-15(12)24/h2,4-5,8,12,15,24H,3,6-7,9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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 | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189373
(CHEMBL212809 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H19N3O6/c24-15-10-14(17(26)29-15)21-18(27)20(7-8-20)19(28)23-22-16(25)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14,17,26H,7-8,10H2,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189358
(2-(carbamoyl)-N'-(3-methylbenzoyl)-2,3-dihydro-1H-...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(Cc2ccccc2C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H23N3O6/c1-13-5-4-8-14(9-13)19(28)25-26-22(31)23(11-15-6-2-3-7-16(15)12-23)21(30)24-17-10-18(27)32-20(17)29/h2-9,17,20,29H,10-12H2,1H3,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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 | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189362
(CHEMBL214166 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H23N3O6/c26-17-12-16(19(28)31-17)23-20(29)22(9-3-4-10-22)21(30)25-24-18(27)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16,19,28H,3-4,9-10,12H2,(H,23,29)(H,24,27)(H,25,30)/t16-,19?/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 | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189361
(CHEMBL213965 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H25N3O6/c1-12-6-5-7-13(10-12)16(25)22-23-19(28)20(8-3-2-4-9-20)18(27)21-14-11-15(24)29-17(14)26/h5-7,10,14,17,26H,2-4,8-9,11H2,1H3,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/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 | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189378
(CHEMBL213553 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-3-5-11(6-4-10)14(23)20-21-17(26)18(7-2-8-18)16(25)19-12-9-13(22)27-15(12)24/h3-6,12,15,24H,2,7-9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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 | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189374
(CHEMBL210118 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H21N3O6/c25-16-11-15(18(27)30-16)22-19(28)21(8-3-9-21)20(29)24-23-17(26)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15,18,27H,3,8-9,11H2,(H,22,28)(H,23,26)(H,24,29)/t15-,18?/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 | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189377
(CHEMBL210023 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(CCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H23N3O6/c1-11-5-4-6-12(9-11)15(24)21-22-18(27)19(7-2-3-8-19)17(26)20-13-10-14(23)28-16(13)25/h4-6,9,13,16,25H,2-3,7-8,10H2,1H3,(H,20,26)(H,21,24)(H,22,27)/t13-,16?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189371
(CHEMBL209626 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H25N3O6/c27-18-13-17(20(29)32-18)24-21(30)23(11-4-1-5-12-23)22(31)26-25-19(28)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17,20,29H,1,4-5,11-13H2,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189375
(CHEMBL212981 | N-[(3S)-2-hydroxy-5-oxotetrahydrofu...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCC1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H23N3O6/c26-17-12-16(19(28)31-17)23-20(29)22(10-3-4-11-22)21(30)25-24-18(27)15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9,16,19,28H,3-4,10-12H2,(H,23,29)(H,24,27)(H,25,30)/t16-,19?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189364
(CHEMBL211512 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H25N3O6/c27-18-13-17(20(29)32-18)24-21(30)23(10-4-1-5-11-23)22(31)26-25-19(28)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17,20,29H,1,4-5,10-11,13H2,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189359
(CHEMBL210114 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(C)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H27N3O6/c1-12-7-6-8-13(2)16(12)17(26)23-24-20(29)21(9-4-3-5-10-21)19(28)22-14-11-15(25)30-18(14)27/h6-8,14,18,27H,3-5,9-11H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)/t14-,18?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189372
(CHEMBL379764 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H23N3O7/c1-28-12-6-4-5-11(9-12)15(24)21-22-18(27)19(7-2-3-8-19)17(26)20-13-10-14(23)29-16(13)25/h4-6,9,13,16,25H,2-3,7-8,10H2,1H3,(H,20,26)(H,21,24)(H,22,27)/t13-,16?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189379
(CHEMBL379831 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C17H19N3O7/c1-26-10-4-2-3-9(7-10)13(22)19-20-16(25)17(5-6-17)15(24)18-11-8-12(21)27-14(11)23/h2-4,7,11,14,23H,5-6,8H2,1H3,(H,18,24)(H,19,22)(H,20,25)/t11-,14?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189365
(CHEMBL212345 | N'-(2-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H23N3O6/c30-21-12-20(23(32)35-21)27-24(33)26(13-18-7-3-4-8-19(18)14-26)25(34)29-28-22(31)17-10-9-15-5-1-2-6-16(15)11-17/h1-11,20,23,32H,12-14H2,(H,27,33)(H,28,31)(H,29,34)/t20-,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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189369
(CHEMBL386240 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O7/c1-27-11-5-2-4-10(8-11)14(23)20-21-17(26)18(6-3-7-18)16(25)19-12-9-13(22)28-15(12)24/h2,4-5,8,12,15,24H,3,6-7,9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189361
(CHEMBL213965 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H25N3O6/c1-12-6-5-7-13(10-12)16(25)22-23-19(28)20(8-3-2-4-9-20)18(27)21-14-11-15(24)29-17(14)26/h5-7,10,14,17,26H,2-4,8-9,11H2,1H3,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189366
(CHEMBL214044 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(OC)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H27N3O8/c1-30-13-7-6-8-14(31-2)16(13)17(26)23-24-20(29)21(9-4-3-5-10-21)19(28)22-12-11-15(25)32-18(12)27/h6-8,12,18,27H,3-5,9-11H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)/t12-,18?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189363
(CHEMBL213784 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-4-2-5-11(8-10)14(23)20-21-17(26)18(6-3-7-18)16(25)19-12-9-13(22)27-15(12)24/h2,4-5,8,12,15,24H,3,6-7,9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189370
(CHEMBL212870 | N'-(2-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C26H23N3O6/c30-21-12-20(23(32)35-21)27-24(33)26(13-16-7-1-2-8-17(16)14-26)25(34)29-28-22(31)19-11-5-9-15-6-3-4-10-18(15)19/h1-11,20,23,32H,12-14H2,(H,27,33)(H,28,31)(H,29,34)/t20-,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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189378
(CHEMBL213553 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-3-5-11(6-4-10)14(23)20-21-17(26)18(7-2-8-18)16(25)19-12-9-13(22)27-15(12)24/h3-6,12,15,24H,2,7-9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189374
(CHEMBL210118 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H21N3O6/c25-16-11-15(18(27)30-16)22-19(28)21(8-3-9-21)20(29)24-23-17(26)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15,18,27H,3,8-9,11H2,(H,22,28)(H,23,26)(H,24,29)/t15-,18?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189362
(CHEMBL214166 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H23N3O6/c26-17-12-16(19(28)31-17)23-20(29)22(9-3-4-10-22)21(30)25-24-18(27)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16,19,28H,3-4,9-10,12H2,(H,23,29)(H,24,27)(H,25,30)/t16-,19?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189376
(CHEMBL213952 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCC1)C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H21N3O6/c25-16-11-15(18(27)30-16)22-19(28)21(9-4-10-21)20(29)24-23-17(26)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,18,27H,4,9-11H2,(H,22,28)(H,23,26)(H,24,29)/t15-,18?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189358
(2-(carbamoyl)-N'-(3-methylbenzoyl)-2,3-dihydro-1H-...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(Cc2ccccc2C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H23N3O6/c1-13-5-4-8-14(9-13)19(28)25-26-22(31)23(11-15-6-2-3-7-16(15)12-23)21(30)24-17-10-18(27)32-20(17)29/h2-9,17,20,29H,10-12H2,1H3,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189373
(CHEMBL212809 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H19N3O6/c24-15-10-14(17(26)29-15)21-18(27)20(7-8-20)19(28)23-22-16(25)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14,17,26H,7-8,10H2,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189367
(CHEMBL213408 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES Cc1ccccc1C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H21N3O6/c1-10-5-2-3-6-11(10)14(23)20-21-17(26)18(7-4-8-18)16(25)19-12-9-13(22)27-15(12)24/h2-3,5-6,12,15,24H,4,7-9H2,1H3,(H,19,25)(H,20,23)(H,21,26)/t12-,15?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189368
(CHEMBL214215 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H25N3O7/c1-29-13-7-5-6-12(10-13)16(25)22-23-19(28)20(8-3-2-4-9-20)18(27)21-14-11-15(24)30-17(14)26/h5-7,10,14,17,26H,2-4,8-9,11H2,1H3,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/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
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076
BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this
Ligand-Target Pair | |
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