Found 30 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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50191907
(CHEMBL387453 | N-((R)-4-(2-((S)-2-hydroxy-5-oxo-te...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C22H23N3O6S/c26-18(23-16-10-19(27)31-22(16)30)11-25-7-8-32-12-17(21(25)29)24-20(28)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-17,22,30H,7-8,10-12H2,(H,23,26)(H,24,28)/t16-,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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 8 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50191905
(CHEMBL425277 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2nccc3ccccc23)C1=O Show InChI InChI=1S/C21H22N4O6S/c26-16(23-14-9-17(27)31-21(14)30)10-25-7-8-32-11-15(20(25)29)24-19(28)18-13-4-2-1-3-12(13)5-6-22-18/h1-6,14-15,21,30H,7-11H2,(H,23,26)(H,24,28)/t14-,15-,21?/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50191909
(CHEMBL214226 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cc3ccccc3s2)C1=O Show InChI InChI=1S/C20H21N3O6S2/c24-16(21-12-8-17(25)29-20(12)28)9-23-5-6-30-10-13(19(23)27)22-18(26)15-7-11-3-1-2-4-14(11)31-15/h1-4,7,12-13,20,28H,5-6,8-10H2,(H,21,24)(H,22,26)/t12-,13-,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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50191902
(CHEMBL214073 | isoquinoline-1-carboxylic acid {(R)...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2nccc3ccccc23)C1=O Show InChI InChI=1S/C21H22N4O8S/c26-16(23-14-9-17(27)33-21(14)30)10-25-7-8-34(31,32)11-15(20(25)29)24-19(28)18-13-4-2-1-3-12(13)5-6-22-18/h1-6,14-15,21,30H,7-11H2,(H,23,26)(H,24,28)/t14-,15-,21?/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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50191906
(CHEMBL215512 | N-((R)-4-(2-((S)-2-hydroxy-5-oxo-te...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C22H23N3O8S/c26-18(23-16-10-19(27)33-22(16)30)11-25-7-8-34(31,32)12-17(21(25)29)24-20(28)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-17,22,30H,7-8,10-12H2,(H,23,26)(H,24,28)/t16-,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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50191901
(CHEMBL213978 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C19H20F3N3O6S/c20-19(21,22)11-3-1-2-10(6-11)16(28)24-13-9-32-5-4-25(17(13)29)8-14(26)23-12-7-15(27)31-18(12)30/h1-3,6,12-13,18,30H,4-5,7-9H2,(H,23,26)(H,24,28)/t12-,13-,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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50191908
(CHEMBL441854 | benzo[b]thiophene-2-carboxylic acid...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2cc3ccccc3s2)C1=O Show InChI InChI=1S/C20H21N3O8S2/c24-16(21-12-8-17(25)31-20(12)28)9-23-5-6-33(29,30)10-13(19(23)27)22-18(26)15-7-11-3-1-2-4-14(11)32-15/h1-4,7,12-13,20,28H,5-6,8-10H2,(H,21,24)(H,22,26)/t12-,13-,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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50191904
(CHEMBL384930 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2ccccc2)C1=O Show InChI InChI=1S/C18H21N3O6S/c22-14(19-12-8-15(23)27-18(12)26)9-21-6-7-28-10-13(17(21)25)20-16(24)11-4-2-1-3-5-11/h1-5,12-13,18,26H,6-10H2,(H,19,22)(H,20,24)/t12-,13-,18?/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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-3
(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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 3 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50191899
(CHEMBL215385 | N-{(R)-4-[((S)-2-hydroxy-5-oxo-tetr...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccccc2)C1=O Show InChI InChI=1S/C18H21N3O8S/c22-14(19-12-8-15(23)29-18(12)26)9-21-6-7-30(27,28)10-13(17(21)25)20-16(24)11-4-2-1-3-5-11/h1-5,12-13,18,26H,6-10H2,(H,19,22)(H,20,24)/t12-,13-,18?/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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50191902
(CHEMBL214073 | isoquinoline-1-carboxylic acid {(R)...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2nccc3ccccc23)C1=O Show InChI InChI=1S/C21H22N4O8S/c26-16(23-14-9-17(27)33-21(14)30)10-25-7-8-34(31,32)11-15(20(25)29)24-19(28)18-13-4-2-1-3-12(13)5-6-22-18/h1-6,14-15,21,30H,7-11H2,(H,23,26)(H,24,28)/t14-,15-,21?/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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 8 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50191904
(CHEMBL384930 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2ccccc2)C1=O Show InChI InChI=1S/C18H21N3O6S/c22-14(19-12-8-15(23)27-18(12)26)9-21-6-7-28-10-13(17(21)25)20-16(24)11-4-2-1-3-5-11/h1-5,12-13,18,26H,6-10H2,(H,19,22)(H,20,24)/t12-,13-,18?/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 | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 8 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50191905
(CHEMBL425277 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2nccc3ccccc23)C1=O Show InChI InChI=1S/C21H22N4O6S/c26-16(23-14-9-17(27)31-21(14)30)10-25-7-8-32-11-15(20(25)29)24-19(28)18-13-4-2-1-3-12(13)5-6-22-18/h1-6,14-15,21,30H,7-11H2,(H,23,26)(H,24,28)/t14-,15-,21?/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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 8 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50191908
(CHEMBL441854 | benzo[b]thiophene-2-carboxylic acid...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2cc3ccccc3s2)C1=O Show InChI InChI=1S/C20H21N3O8S2/c24-16(21-12-8-17(25)31-20(12)28)9-23-5-6-33(29,30)10-13(19(23)27)22-18(26)15-7-11-3-1-2-4-14(11)32-15/h1-4,7,12-13,20,28H,5-6,8-10H2,(H,21,24)(H,22,26)/t12-,13-,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 | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 8 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50191907
(CHEMBL387453 | N-((R)-4-(2-((S)-2-hydroxy-5-oxo-te...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C22H23N3O6S/c26-18(23-16-10-19(27)31-22(16)30)11-25-7-8-32-12-17(21(25)29)24-20(28)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-17,22,30H,7-8,10-12H2,(H,23,26)(H,24,28)/t16-,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 | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 8 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50191909
(CHEMBL214226 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cc3ccccc3s2)C1=O Show InChI InChI=1S/C20H21N3O6S2/c24-16(21-12-8-17(25)29-20(12)28)9-23-5-6-30-10-13(19(23)27)22-18(26)15-7-11-3-1-2-4-14(11)31-15/h1-4,7,12-13,20,28H,5-6,8-10H2,(H,21,24)(H,22,26)/t12-,13-,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 | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 8 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50191909
(CHEMBL214226 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cc3ccccc3s2)C1=O Show InChI InChI=1S/C20H21N3O6S2/c24-16(21-12-8-17(25)29-20(12)28)9-23-5-6-30-10-13(19(23)27)22-18(26)15-7-11-3-1-2-4-14(11)31-15/h1-4,7,12-13,20,28H,5-6,8-10H2,(H,21,24)(H,22,26)/t12-,13-,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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 3 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50191906
(CHEMBL215512 | N-((R)-4-(2-((S)-2-hydroxy-5-oxo-te...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C22H23N3O8S/c26-18(23-16-10-19(27)33-22(16)30)11-25-7-8-34(31,32)12-17(21(25)29)24-20(28)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-17,22,30H,7-8,10-12H2,(H,23,26)(H,24,28)/t16-,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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 3 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50191907
(CHEMBL387453 | N-((R)-4-(2-((S)-2-hydroxy-5-oxo-te...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C22H23N3O6S/c26-18(23-16-10-19(27)31-22(16)30)11-25-7-8-32-12-17(21(25)29)24-20(28)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-17,22,30H,7-8,10-12H2,(H,23,26)(H,24,28)/t16-,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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 3 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50191901
(CHEMBL213978 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C19H20F3N3O6S/c20-19(21,22)11-3-1-2-10(6-11)16(28)24-13-9-32-5-4-25(17(13)29)8-14(26)23-12-7-15(27)31-18(12)30/h1-3,6,12-13,18,30H,4-5,7-9H2,(H,23,26)(H,24,28)/t12-,13-,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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 3 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50191908
(CHEMBL441854 | benzo[b]thiophene-2-carboxylic acid...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2cc3ccccc3s2)C1=O Show InChI InChI=1S/C20H21N3O8S2/c24-16(21-12-8-17(25)31-20(12)28)9-23-5-6-33(29,30)10-13(19(23)27)22-18(26)15-7-11-3-1-2-4-14(11)32-15/h1-4,7,12-13,20,28H,5-6,8-10H2,(H,21,24)(H,22,26)/t12-,13-,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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 3 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50191902
(CHEMBL214073 | isoquinoline-1-carboxylic acid {(R)...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2nccc3ccccc23)C1=O Show InChI InChI=1S/C21H22N4O8S/c26-16(23-14-9-17(27)33-21(14)30)10-25-7-8-34(31,32)11-15(20(25)29)24-19(28)18-13-4-2-1-3-12(13)5-6-22-18/h1-6,14-15,21,30H,7-11H2,(H,23,26)(H,24,28)/t14-,15-,21?/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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 3 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50191904
(CHEMBL384930 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2ccccc2)C1=O Show InChI InChI=1S/C18H21N3O6S/c22-14(19-12-8-15(23)27-18(12)26)9-21-6-7-28-10-13(17(21)25)20-16(24)11-4-2-1-3-5-11/h1-5,12-13,18,26H,6-10H2,(H,19,22)(H,20,24)/t12-,13-,18?/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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 3 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50191899
(CHEMBL215385 | N-{(R)-4-[((S)-2-hydroxy-5-oxo-tetr...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccccc2)C1=O Show InChI InChI=1S/C18H21N3O8S/c22-14(19-12-8-15(23)29-18(12)26)9-21-6-7-30(27,28)10-13(17(21)25)20-16(24)11-4-2-1-3-5-11/h1-5,12-13,18,26H,6-10H2,(H,19,22)(H,20,24)/t12-,13-,18?/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 8 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50191906
(CHEMBL215512 | N-((R)-4-(2-((S)-2-hydroxy-5-oxo-te...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C22H23N3O8S/c26-18(23-16-10-19(27)33-22(16)30)11-25-7-8-34(31,32)12-17(21(25)29)24-20(28)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-17,22,30H,7-8,10-12H2,(H,23,26)(H,24,28)/t16-,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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 8 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50191901
(CHEMBL213978 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C19H20F3N3O6S/c20-19(21,22)11-3-1-2-10(6-11)16(28)24-13-9-32-5-4-25(17(13)29)8-14(26)23-12-7-15(27)31-18(12)30/h1-3,6,12-13,18,30H,4-5,7-9H2,(H,23,26)(H,24,28)/t12-,13-,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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 8 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50191905
(CHEMBL425277 | N-((R)-4-(2-((3S)-2-hydroxy-5-oxo-t...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2nccc3ccccc23)C1=O Show InChI InChI=1S/C21H22N4O6S/c26-16(23-14-9-17(27)31-21(14)30)10-25-7-8-32-11-15(20(25)29)24-19(28)18-13-4-2-1-3-12(13)5-6-22-18/h1-6,14-15,21,30H,7-11H2,(H,23,26)(H,24,28)/t14-,15-,21?/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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 3 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50191899
(CHEMBL215385 | N-{(R)-4-[((S)-2-hydroxy-5-oxo-tetr...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccccc2)C1=O Show InChI InChI=1S/C18H21N3O8S/c22-14(19-12-8-15(23)29-18(12)26)9-21-6-7-30(27,28)10-13(17(21)25)20-16(24)11-4-2-1-3-5-11/h1-5,12-13,18,26H,6-10H2,(H,19,22)(H,20,24)/t12-,13-,18?/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 and Gamble Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of Caspase 3 |
Bioorg Med Chem Lett 16: 4728-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.016
BindingDB Entry DOI: 10.7270/Q26T0NFF |
More data for this
Ligand-Target Pair | |
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