Found 50 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)) | BDBM50325241
(CHEMBL1223114)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CON1[C@H]2CCCC[C@H]2CC1=O |r| Show InChI InChI=1S/C29H40N4O9/c1-17(2)26(32-29(40)41-15-19-9-5-4-6-10-19)28(39)30-18(3)27(38)31-21(14-25(36)37)23(34)16-42-33-22-12-8-7-11-20(22)13-24(33)35/h4-6,9-10,17-18,20-22,26H,7-8,11-16H2,1-3H3,(H,30,39)(H,31,38)(H,32,40)(H,36,37)/t18-,20-,21-,22-,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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325237
((5S,8S,11S)-11-(2-(3,3-diphenylpropanoyloxy)acetyl...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H41N3O9/c1-23(2)33(39-36(46)48-21-25-13-7-4-8-14-25)35(45)37-24(3)34(44)38-29(20-31(41)42)30(40)22-47-32(43)19-28(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23-24,28-29,33H,19-22H2,1-3H3,(H,37,45)(H,38,44)(H,39,46)(H,41,42)/t24-,29-,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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325240
(CHEMBL1223113)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COn1c(O)cc2ccccc12 |r| Show InChI InChI=1S/C29H34N4O9/c1-17(2)26(32-29(40)41-15-19-9-5-4-6-10-19)28(39)30-18(3)27(38)31-21(14-25(36)37)23(34)16-42-33-22-12-8-7-11-20(22)13-24(33)35/h4-13,17-18,21,26,35H,14-16H2,1-3H3,(H,30,39)(H,31,38)(H,32,40)(H,36,37)/t18-,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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325238
((5S,8S,11S)-11-(2-(2-benzyl-3-phenylpropanoyloxy)a...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H43N3O9/c1-24(2)33(40-37(47)49-22-28-17-11-6-12-18-28)35(45)38-25(3)34(44)39-30(21-32(42)43)31(41)23-48-36(46)29(19-26-13-7-4-8-14-26)20-27-15-9-5-10-16-27/h4-18,24-25,29-30,33H,19-23H2,1-3H3,(H,38,45)(H,39,44)(H,40,47)(H,42,43)/t25-,30-,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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325236
((5S,8S,11S)-5-isopropyl-8-methyl-11-(2-(2-(naphtha...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C33H37N3O9/c1-20(2)30(36-33(43)45-18-22-10-5-4-6-11-22)32(42)34-21(3)31(41)35-26(17-28(38)39)27(37)19-44-29(40)16-24-14-9-13-23-12-7-8-15-25(23)24/h4-15,20-21,26,30H,16-19H2,1-3H3,(H,34,42)(H,35,41)(H,36,43)(H,38,39)/t21-,26-,30-/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
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325239
(CHEMBL1223112)Show SMILES COC(=O)C[C@H]1CCC[C@H]2CC(=O)N(OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)[C@@H]12 |r| Show InChI InChI=1S/C32H44N4O11/c1-18(2)28(35-32(44)46-16-20-9-6-5-7-10-20)31(43)33-19(3)30(42)34-23(15-26(39)40)24(37)17-47-36-25(38)13-21-11-8-12-22(29(21)36)14-27(41)45-4/h5-7,9-10,18-19,21-23,28-29H,8,11-17H2,1-4H3,(H,33,43)(H,34,42)(H,35,44)(H,39,40)/t19-,21-,22+,23-,28-,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
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM12197
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27-,28-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325235
((5S,8S,11S)-5-isopropyl-8-methyl-3,6,9-trioxo-1-ph...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C31H41N3O7/c1-21(2)28(34-31(40)41-20-24-16-10-5-11-17-24)30(39)32-22(3)29(38)33-25(19-27(36)37)26(35)18-12-6-9-15-23-13-7-4-8-14-23/h4-5,7-8,10-11,13-14,16-17,21-22,25,28H,6,9,12,15,18-20H2,1-3H3,(H,32,39)(H,33,38)(H,34,40)(H,36,37)/t22-,25-,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
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325250
((S)-3-(benzyloxycarbonylamino)-5-(2-(naphthalen-1-...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C25H23NO7/c27-22(16-32-24(30)13-19-11-6-10-18-9-4-5-12-20(18)19)21(14-23(28)29)26-25(31)33-15-17-7-2-1-3-8-17/h1-12,21H,13-16H2,(H,26,31)(H,28,29)/t21-/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
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325259
((S)-5-(2-(1H-indol-3-yl)acetoxy)-3-(benzyloxycarbo...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C23H22N2O7/c26-20(14-31-22(29)10-16-12-24-18-9-5-4-8-17(16)18)19(11-21(27)28)25-23(30)32-13-15-6-2-1-3-7-15/h1-9,12,19,24H,10-11,13-14H2,(H,25,30)(H,27,28)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325260
((S)-5-(2-(benzofuran-3-yl)acetoxy)-3-(benzyloxycar...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1coc2ccccc12 |r| Show InChI InChI=1S/C23H21NO8/c25-19(14-31-22(28)10-16-13-30-20-9-5-4-8-17(16)20)18(11-21(26)27)24-23(29)32-12-15-6-2-1-3-7-15/h1-9,13,18H,10-12,14H2,(H,24,29)(H,26,27)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325257
((S)-3-(benzyloxycarbonylamino)-5-(3,3-diphenylprop...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H27NO7/c30-25(24(17-26(31)32)29-28(34)36-18-20-10-4-1-5-11-20)19-35-27(33)16-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,34)(H,31,32)/t24-/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
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325251
((S)-3-(benzyloxycarbonylamino)-5-(2-(naphthalen-1-...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)COc1cccc2ccccc12 |r| Show InChI InChI=1S/C25H23NO8/c27-21(20(13-23(28)29)26-25(31)34-14-17-7-2-1-3-8-17)15-33-24(30)16-32-22-12-6-10-18-9-4-5-11-19(18)22/h1-12,20H,13-16H2,(H,26,31)(H,28,29)/t20-/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
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325252
((3S)-3-(benzyloxycarbonylamino)-5-(2-(naphthalen-1...)Show SMILES CC(C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C26H25NO7/c1-17(20-13-7-11-19-10-5-6-12-21(19)20)25(31)33-16-23(28)22(14-24(29)30)27-26(32)34-15-18-8-3-2-4-9-18/h2-13,17,22H,14-16H2,1H3,(H,27,32)(H,29,30)/t17?,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
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325258
((3S)-3-(benzyloxycarbonylamino)-4-oxo-5-(3-phenyl-...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CC(c1ccccc1)c1ccccn1 |r| Show InChI InChI=1S/C27H26N2O7/c30-24(23(16-25(31)32)29-27(34)36-17-19-9-3-1-4-10-19)18-35-26(33)15-21(20-11-5-2-6-12-20)22-13-7-8-14-28-22/h1-14,21,23H,15-18H2,(H,29,34)(H,31,32)/t21?,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325246
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(2-(phenylt...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CSc1ccccc1 |r| Show InChI InChI=1S/C21H21NO7S/c23-18(13-28-20(26)14-30-16-9-5-2-6-10-16)17(11-19(24)25)22-21(27)29-12-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,22,27)(H,24,25)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325261
((S)-5-(2-(benzo[b]thiophen-3-yl)acetoxy)-3-(benzyl...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1csc2ccccc12 |r| Show InChI InChI=1S/C23H21NO7S/c25-19(13-30-22(28)10-16-14-32-20-9-5-4-8-17(16)20)18(11-21(26)27)24-23(29)31-12-15-6-2-1-3-7-15/h1-9,14,18H,10-13H2,(H,24,29)(H,26,27)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325254
((S)-3-(benzyloxycarbonylamino)-5-(2-(4-methylnapht...)Show SMILES Cc1ccc(CC(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C26H25NO7/c1-17-11-12-19(21-10-6-5-9-20(17)21)13-25(31)33-16-23(28)22(14-24(29)30)27-26(32)34-15-18-7-3-2-4-8-18/h2-12,22H,13-16H2,1H3,(H,27,32)(H,29,30)/t22-/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
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325249
((S)-3-(benzyloxycarbonylamino)-5-(2-(naphthalen-2-...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H23NO7/c27-22(16-32-24(30)13-18-10-11-19-8-4-5-9-20(19)12-18)21(14-23(28)29)26-25(31)33-15-17-6-2-1-3-7-17/h1-12,21H,13-16H2,(H,26,31)(H,28,29)/t21-/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
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325234
(CHEMBL1223107)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1C(=O)C2C3OC(C=C3)C2C1=O |r,c:28,THB:30:29:27.28:25| Show InChI InChI=1S/C21H20N2O9/c24-13(10-31-23-19(27)17-14-6-7-15(32-14)18(17)20(23)28)12(8-16(25)26)22-21(29)30-9-11-4-2-1-3-5-11/h1-7,12,14-15,17-18H,8-10H2,(H,22,29)(H,25,26)/t12-,14?,15?,17?,18?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325245
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(2-phenoxya...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)COc1ccccc1 |r| Show InChI InChI=1S/C21H21NO8/c23-18(13-29-20(26)14-28-16-9-5-2-6-10-16)17(11-19(24)25)22-21(27)30-12-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,22,27)(H,24,25)/t17-/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
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325255
((S)-3-(benzyloxycarbonylamino)-5-(2-(5-methylnapht...)Show SMILES Cc1cccc2c(CC(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc3ccccc3)cccc12 |r| Show InChI InChI=1S/C26H25NO7/c1-17-7-5-12-21-19(10-6-11-20(17)21)13-25(31)33-16-23(28)22(14-24(29)30)27-26(32)34-15-18-8-3-2-4-9-18/h2-12,22H,13-16H2,1H3,(H,27,32)(H,29,30)/t22-/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
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325262
((S)-5-(2-(benzo[d]thiazol-4-yl)acetoxy)-3-(benzylo...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1cccc2scnc12 |r| Show InChI InChI=1S/C22H20N2O7S/c25-17(12-30-20(28)9-15-7-4-8-18-21(15)23-13-32-18)16(10-19(26)27)24-22(29)31-11-14-5-2-1-3-6-14/h1-8,13,16H,9-12H2,(H,24,29)(H,26,27)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325253
((S)-3-(benzyloxycarbonylamino)-5-(2-(2-methylnapht...)Show SMILES Cc1ccc2ccccc2c1CC(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H25NO7/c1-17-11-12-19-9-5-6-10-20(19)21(17)13-25(31)33-16-23(28)22(14-24(29)30)27-26(32)34-15-18-7-3-2-4-8-18/h2-12,22H,13-16H2,1H3,(H,27,32)(H,29,30)/t22-/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
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50071541
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(3-phenylpr...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CCc1ccccc1 Show InChI InChI=1S/C22H23NO7/c24-19(15-29-21(27)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-22(28)30-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,23,28)(H,25,26)/t18-/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
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325247
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(2-(phenyla...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CNc1ccccc1 |r| Show InChI InChI=1S/C21H22N2O7/c24-18(14-29-20(27)12-22-16-9-5-2-6-10-16)17(11-19(25)26)23-21(28)30-13-15-7-3-1-4-8-15/h1-10,17,22H,11-14H2,(H,23,28)(H,25,26)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325248
((S)-3-(benzyloxycarbonylamino)-5-(3-(naphthalen-2-...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H25NO7/c28-23(22(15-24(29)30)27-26(32)34-16-19-6-2-1-3-7-19)17-33-25(31)13-11-18-10-12-20-8-4-5-9-21(20)14-18/h1-10,12,14,22H,11,13,15-17H2,(H,27,32)(H,29,30)/t22-/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
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325267
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(2-oxoindol...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COn1c(O)cc2ccccc12 |r| Show InChI InChI=1S/C21H20N2O7/c24-18(13-30-23-17-9-5-4-8-15(17)10-19(23)25)16(11-20(26)27)22-21(28)29-12-14-6-2-1-3-7-14/h1-10,16,25H,11-13H2,(H,22,28)(H,26,27)/t16-/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
| 6.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325243
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(2-phenylac...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C21H21NO7/c23-18(14-28-20(26)11-15-7-3-1-4-8-15)17(12-19(24)25)22-21(27)29-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,27)(H,24,25)/t17-/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
| 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325256
((S)-3-(benzyloxycarbonylamino)-5-(2-(8-methylnapht...)Show SMILES Cc1cccc2cccc(CC(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc3ccccc3)c12 |r| Show InChI InChI=1S/C26H25NO7/c1-17-7-5-10-19-11-6-12-20(25(17)19)13-24(31)33-16-22(28)21(14-23(29)30)27-26(32)34-15-18-8-3-2-4-9-18/h2-12,21H,13-16H2,1H3,(H,27,32)(H,29,30)/t21-/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
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325265
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-((3aS,7aS)-...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1[C@H]2CCCC[C@H]2CC1=O |r| Show InChI InChI=1S/C21H26N2O7/c24-18(13-30-23-17-9-5-4-8-15(17)10-19(23)25)16(11-20(26)27)22-21(28)29-12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,28)(H,26,27)/t15-,16-,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
| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325268
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(1-oxoisoin...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C21H20N2O7/c24-18(13-30-23-11-15-8-4-5-9-16(15)20(23)27)17(10-19(25)26)22-21(28)29-12-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,22,28)(H,25,26)/t17-/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
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325263
((S)-3-(benzyloxycarbonylamino)-5-((3aS,7R,7aR)-7-(...)Show SMILES COC(=O)C[C@H]1CCC[C@H]2CC(=O)N(OCC(=O)[C@H](CC(O)=O)NC(=O)OCc3ccccc3)[C@@H]12 |r| Show InChI InChI=1S/C24H30N2O9/c1-33-22(31)11-17-9-5-8-16-10-20(28)26(23(16)17)35-14-19(27)18(12-21(29)30)25-24(32)34-13-15-6-3-2-4-7-15/h2-4,6-7,16-18,23H,5,8-14H2,1H3,(H,25,32)(H,29,30)/t16-,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
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325244
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(4-phenylbu...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CCCc1ccccc1 |r| Show InChI InChI=1S/C23H25NO7/c25-20(16-30-22(28)13-7-12-17-8-3-1-4-9-17)19(14-21(26)27)24-23(29)31-15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,24,29)(H,26,27)/t19-/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
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325266
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-((3aS,7aR)-...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1[C@@H]2CCCC[C@H]2CC1=O |r| Show InChI InChI=1S/C21H26N2O7/c24-18(13-30-23-17-9-5-4-8-15(17)10-19(23)25)16(11-20(26)27)22-21(28)29-12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,28)(H,26,27)/t15-,16-,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
| 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325269
((S)-5-(benzamidooxy)-3-(benzyloxycarbonylamino)-4-...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H20N2O7/c23-17(13-29-22-19(26)15-9-5-2-6-10-15)16(11-18(24)25)21-20(27)28-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,27)(H,22,26)(H,24,25)/t16-/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
| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325271
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(3-phenylpr...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C22H24N2O7/c25-19(15-31-24-20(26)12-11-16-7-3-1-4-8-16)18(13-21(27)28)23-22(29)30-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,23,29)(H,24,26)(H,27,28)/t18-/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
| 2.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325270
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(2-phenylac...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C21H22N2O7/c24-18(14-30-23-19(25)11-15-7-3-1-4-8-15)17(12-20(26)27)22-21(28)29-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,28)(H,23,25)(H,26,27)/t17-/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
| 6.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325272
((S)-3-(benzyloxycarbonylamino)-5-(2-(naphthalen-1-...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C25H24N2O7/c28-22(21(14-24(30)31)26-25(32)33-15-17-7-2-1-3-8-17)16-34-27-23(29)13-19-11-6-10-18-9-4-5-12-20(18)19/h1-12,21H,13-16H2,(H,26,32)(H,27,29)(H,30,31)/t21-/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
| 8.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325264
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(2-oxopyrro...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1CCCC1=O |r| Show InChI InChI=1S/C17H20N2O7/c20-14(11-26-19-8-4-7-15(19)21)13(9-16(22)23)18-17(24)25-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,24)(H,22,23)/t13-/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
| 8.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325242
((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(5-phenylpe...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COCCCCCc1ccccc1 |r| Show InChI InChI=1S/C24H29NO6/c26-22(18-30-15-9-3-8-12-19-10-4-1-5-11-19)21(16-23(27)28)25-24(29)31-17-20-13-6-2-7-14-20/h1-2,4-7,10-11,13-14,21H,3,8-9,12,15-18H2,(H,25,29)(H,27,28)/t21-/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
| 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325273
((S)-3-(benzyloxycarbonylamino)-5-(3-(naphthalen-1-...)Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)CCc1cccc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O7/c29-23(22(15-25(31)32)27-26(33)34-16-18-7-2-1-3-8-18)17-35-28-24(30)14-13-20-11-6-10-19-9-4-5-12-21(19)20/h1-12,22H,13-17H2,(H,27,33)(H,28,30)(H,31,32)/t22-/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
| 2.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325236
((5S,8S,11S)-5-isopropyl-8-methyl-11-(2-(2-(naphtha...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C33H37N3O9/c1-20(2)30(36-33(43)45-18-22-10-5-4-6-11-22)32(42)34-21(3)31(41)35-26(17-28(38)39)27(37)19-44-29(40)16-24-14-9-13-23-12-7-8-15-25(23)24/h4-15,20-21,26,30H,16-19H2,1-3H3,(H,34,42)(H,35,41)(H,36,43)(H,38,39)/t21-,26-,30-/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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325241
(CHEMBL1223114)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CON1[C@H]2CCCC[C@H]2CC1=O |r| Show InChI InChI=1S/C29H40N4O9/c1-17(2)26(32-29(40)41-15-19-9-5-4-6-10-19)28(39)30-18(3)27(38)31-21(14-25(36)37)23(34)16-42-33-22-12-8-7-11-20(22)13-24(33)35/h4-6,9-10,17-18,20-22,26H,7-8,11-16H2,1-3H3,(H,30,39)(H,31,38)(H,32,40)(H,36,37)/t18-,20-,21-,22-,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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325238
((5S,8S,11S)-11-(2-(2-benzyl-3-phenylpropanoyloxy)a...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H43N3O9/c1-24(2)33(40-37(47)49-22-28-17-11-6-12-18-28)35(45)38-25(3)34(44)39-30(21-32(42)43)31(41)23-48-36(46)29(19-26-13-7-4-8-14-26)20-27-15-9-5-10-16-27/h4-18,24-25,29-30,33H,19-23H2,1-3H3,(H,38,45)(H,39,44)(H,40,47)(H,42,43)/t25-,30-,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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325240
(CHEMBL1223113)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COn1c(O)cc2ccccc12 |r| Show InChI InChI=1S/C29H34N4O9/c1-17(2)26(32-29(40)41-15-19-9-5-4-6-10-19)28(39)30-18(3)27(38)31-21(14-25(36)37)23(34)16-42-33-22-12-8-7-11-20(22)13-24(33)35/h4-13,17-18,21,26,35H,14-16H2,1-3H3,(H,30,39)(H,31,38)(H,32,40)(H,36,37)/t18-,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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325237
((5S,8S,11S)-11-(2-(3,3-diphenylpropanoyloxy)acetyl...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H41N3O9/c1-23(2)33(39-36(46)48-21-25-13-7-4-8-14-25)35(45)37-24(3)34(44)38-29(20-31(41)42)30(40)22-47-32(43)19-28(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23-24,28-29,33H,19-22H2,1-3H3,(H,37,45)(H,38,44)(H,39,46)(H,41,42)/t24-,29-,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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325239
(CHEMBL1223112)Show SMILES COC(=O)C[C@H]1CCC[C@H]2CC(=O)N(OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)[C@@H]12 |r| Show InChI InChI=1S/C32H44N4O11/c1-18(2)28(35-32(44)46-16-20-9-6-5-7-10-20)31(43)33-19(3)30(42)34-23(15-26(39)40)24(37)17-47-36-25(38)13-21-11-8-12-22(29(21)36)14-27(41)45-4/h5-7,9-10,18-19,21-23,28-29H,8,11-17H2,1-4H3,(H,33,43)(H,34,42)(H,35,44)(H,39,40)/t19-,21-,22+,23-,28-,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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM12197
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27-,28-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325235
((5S,8S,11S)-5-isopropyl-8-methyl-3,6,9-trioxo-1-ph...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C31H41N3O7/c1-21(2)28(34-31(40)41-20-24-16-10-5-11-17-24)30(39)32-22(3)29(38)33-25(19-27(36)37)26(35)18-12-6-9-15-23-13-7-4-8-14-23/h4-5,7-8,10-11,13-14,16-17,21-22,25,28H,6,9,12,15,18-20H2,1-3H3,(H,32,39)(H,33,38)(H,34,40)(H,36,37)/t22-,25-,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 | 976 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this
Ligand-Target Pair | |
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