Found 29 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)) | BDBM50139695
(3-((S)-2-{(S)-2-[2-((S)-Acetylamino)-3-(4-hydroxy-...)Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C32H41N5O12S/c1-19(30(45)37-25(17-29(43)44)27(40)18-33-50(48,49)15-14-21-6-4-3-5-7-21)34-31(46)24(12-13-28(41)42)36-32(47)26(35-20(2)38)16-22-8-10-23(39)11-9-22/h3-11,19,24-26,33,39H,12-18H2,1-2H3,(H,34,46)(H,35,38)(H,36,47)(H,37,45)(H,41,42)(H,43,44)/t19-,24-,25?,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139702
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H38N4O9S/c1-19(2)26(33-29(39)42-18-22-12-8-5-9-13-22)28(38)31-20(3)27(37)32-23(16-25(35)36)24(34)17-30-43(40,41)15-14-21-10-6-4-7-11-21/h4-13,19-20,23,26,30H,14-18H2,1-3H3,(H,31,38)(H,32,37)(H,33,39)(H,35,36)/t20-,23?,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
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50091585
(3-((S)-2-{(S)-2-[2-((S)-Acetylamino)-3-(4-hydroxy-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCCc1ccccc1 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
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139699
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-carboxy-b...)Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H36N4O11S/c1-19(31-28(40)22(12-13-25(35)36)33-29(41)44-18-21-10-6-3-7-11-21)27(39)32-23(16-26(37)38)24(34)17-30-45(42,43)15-14-20-8-4-2-5-9-20/h2-11,19,22-23,30H,12-18H2,1H3,(H,31,40)(H,32,39)(H,33,41)(H,35,36)(H,37,38)/t19-,22-,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
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139690
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCCc1ccccc1 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
| PubMed
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139698
(3-Benzyloxycarbonylamino-4-oxo-5-(2-phenyl-ethanes...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C21H24N2O7S/c24-19(14-22-31(28,29)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-21(27)30-15-17-9-5-2-6-10-17/h1-10,18,22H,11-15H2,(H,23,27)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139701
(3-Benzyloxycarbonylamino-5-(2-naphthalen-1-yl-etha...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1cccc2ccccc12 Show InChI InChI=1S/C25H26N2O7S/c28-23(22(15-24(29)30)27-25(31)34-17-18-7-2-1-3-8-18)16-26-35(32,33)14-13-20-11-6-10-19-9-4-5-12-21(19)20/h1-12,22,26H,13-17H2,(H,27,31)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139694
(3-Benzyloxycarbonylamino-5-(naphthalene-1-sulfonyl...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H22N2O7S/c26-20(14-24-33(30,31)21-12-6-10-17-9-4-5-11-18(17)21)19(13-22(27)28)25-23(29)32-15-16-7-2-1-3-8-16/h1-12,19,24H,13-15H2,(H,25,29)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139697
(3-Benzyloxycarbonylamino-5-(2-cyclohexyl-ethanesul...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCC1CCCCC1 Show InChI InChI=1S/C21H30N2O7S/c24-19(14-22-31(28,29)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-21(27)30-15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18,22H,1,3-4,7-8,11-15H2,(H,23,27)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139693
(3-Benzyloxycarbonylamino-4-oxo-5-(3-phenyl-propane...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCCc1ccccc1 Show InChI InChI=1S/C22H26N2O7S/c25-20(15-23-32(29,30)13-7-12-17-8-3-1-4-9-17)19(14-21(26)27)24-22(28)31-16-18-10-5-2-6-11-18/h1-6,8-11,19,23H,7,12-16H2,(H,24,28)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139691
(5-Benzenesulfonylamino-3-benzyloxycarbonylamino-4-...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H20N2O7S/c22-17(12-20-29(26,27)15-9-5-2-6-10-15)16(11-18(23)24)21-19(25)28-13-14-7-3-1-4-8-14/h1-10,16,20H,11-13H2,(H,21,25)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139703
(3-Benzyloxycarbonylamino-5-(indan-1-ylmethanesulfo...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CC1CCc2ccccc12 Show InChI InChI=1S/C23H26N2O7S/c26-21(13-24-33(30,31)15-18-11-10-17-8-4-5-9-19(17)18)20(12-22(27)28)25-23(29)32-14-16-6-2-1-3-7-16/h1-9,18,20,24H,10-15H2,(H,25,29)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139696
(3-Benzyloxycarbonylamino-4-oxo-9-phenyl-nonanoic a...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CCCCCc1ccccc1 Show InChI InChI=1S/C23H27NO5/c25-21(15-9-3-6-12-18-10-4-1-5-11-18)20(16-22(26)27)24-23(28)29-17-19-13-7-2-8-14-19/h1-2,4-5,7-8,10-11,13-14,20H,3,6,9,12,15-17H2,(H,24,28)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139692
(3-Benzyloxycarbonylamino-5-methanesulfonylamino-4-...)Show SMILES CS(=O)(=O)NCC(=O)C(CC(O)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C14H18N2O7S/c1-24(21,22)15-8-12(17)11(7-13(18)19)16-14(20)23-9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,16,20)(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139695
(3-((S)-2-{(S)-2-[2-((S)-Acetylamino)-3-(4-hydroxy-...)Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C32H41N5O12S/c1-19(30(45)37-25(17-29(43)44)27(40)18-33-50(48,49)15-14-21-6-4-3-5-7-21)34-31(46)24(12-13-28(41)42)36-32(47)26(35-20(2)38)16-22-8-10-23(39)11-9-22/h3-11,19,24-26,33,39H,12-18H2,1-2H3,(H,34,46)(H,35,38)(H,36,47)(H,37,45)(H,41,42)(H,43,44)/t19-,24-,25?,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139699
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-carboxy-b...)Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H36N4O11S/c1-19(31-28(40)22(12-13-25(35)36)33-29(41)44-18-21-10-6-3-7-11-21)27(39)32-23(16-26(37)38)24(34)17-30-45(42,43)15-14-20-8-4-2-5-9-20/h2-11,19,22-23,30H,12-18H2,1H3,(H,31,40)(H,32,39)(H,33,41)(H,35,36)(H,37,38)/t19-,22-,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
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50091585
(3-((S)-2-{(S)-2-[2-((S)-Acetylamino)-3-(4-hydroxy-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCCc1ccccc1 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
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139702
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H38N4O9S/c1-19(2)26(33-29(39)42-18-22-12-8-5-9-13-22)28(38)31-20(3)27(37)32-23(16-25(35)36)24(34)17-30-43(40,41)15-14-21-10-6-4-7-11-21/h4-13,19-20,23,26,30H,14-18H2,1-3H3,(H,31,38)(H,32,37)(H,33,39)(H,35,36)/t20-,23?,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
| PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139690
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCCc1ccccc1 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
| PubMed
| n/a | n/a | 976 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139701
(3-Benzyloxycarbonylamino-5-(2-naphthalen-1-yl-etha...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1cccc2ccccc12 Show InChI InChI=1S/C25H26N2O7S/c28-23(22(15-24(29)30)27-25(31)34-17-18-7-2-1-3-8-18)16-26-35(32,33)14-13-20-11-6-10-19-9-4-5-12-21(19)20/h1-12,22,26H,13-17H2,(H,27,31)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139698
(3-Benzyloxycarbonylamino-4-oxo-5-(2-phenyl-ethanes...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C21H24N2O7S/c24-19(14-22-31(28,29)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-21(27)30-15-17-9-5-2-6-10-17/h1-10,18,22H,11-15H2,(H,23,27)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139697
(3-Benzyloxycarbonylamino-5-(2-cyclohexyl-ethanesul...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCC1CCCCC1 Show InChI InChI=1S/C21H30N2O7S/c24-19(14-22-31(28,29)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-21(27)30-15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18,22H,1,3-4,7-8,11-15H2,(H,23,27)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139700
(3-Benzyloxycarbonylamino-4-oxo-5-phenylmethanesulf...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C20H22N2O7S/c23-18(12-21-30(27,28)14-16-9-5-2-6-10-16)17(11-19(24)25)22-20(26)29-13-15-7-3-1-4-8-15/h1-10,17,21H,11-14H2,(H,22,26)(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.68E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139694
(3-Benzyloxycarbonylamino-5-(naphthalene-1-sulfonyl...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H22N2O7S/c26-20(14-24-33(30,31)21-12-6-10-17-9-4-5-11-18(17)21)19(13-22(27)28)25-23(29)32-15-16-7-2-1-3-8-16/h1-12,19,24H,13-15H2,(H,25,29)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.74E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139703
(3-Benzyloxycarbonylamino-5-(indan-1-ylmethanesulfo...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CC1CCc2ccccc12 Show InChI InChI=1S/C23H26N2O7S/c26-21(13-24-33(30,31)15-18-11-10-17-8-4-5-9-19(17)18)20(12-22(27)28)25-23(29)32-14-16-6-2-1-3-7-16/h1-9,18,20,24H,10-15H2,(H,25,29)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139693
(3-Benzyloxycarbonylamino-4-oxo-5-(3-phenyl-propane...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCCc1ccccc1 Show InChI InChI=1S/C22H26N2O7S/c25-20(15-23-32(29,30)13-7-12-17-8-3-1-4-9-17)19(14-21(26)27)24-22(28)31-16-18-10-5-2-6-11-18/h1-6,8-11,19,23H,7,12-16H2,(H,24,28)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139691
(5-Benzenesulfonylamino-3-benzyloxycarbonylamino-4-...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H20N2O7S/c22-17(12-20-29(26,27)15-9-5-2-6-10-15)16(11-18(23)24)21-19(25)28-13-14-7-3-1-4-8-14/h1-10,16,20H,11-13H2,(H,21,25)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.91E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139696
(3-Benzyloxycarbonylamino-4-oxo-9-phenyl-nonanoic a...)Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CCCCCc1ccccc1 Show InChI InChI=1S/C23H27NO5/c25-21(15-9-3-6-12-18-10-4-1-5-11-18)20(16-22(26)27)24-23(28)29-17-19-13-7-2-8-14-19/h1-2,4-5,7-8,10-11,13-14,20H,3,6,9,12,15-17H2,(H,24,28)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.03E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50139692
(3-Benzyloxycarbonylamino-5-methanesulfonylamino-4-...)Show SMILES CS(=O)(=O)NCC(=O)C(CC(O)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C14H18N2O7S/c1-24(21,22)15-8-12(17)11(7-13(18)19)16-14(20)23-9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,16,20)(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.83E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against caspase-1 |
Bioorg Med Chem Lett 14: 809-12 (2004)
BindingDB Entry DOI: 10.7270/Q2FB52CR |
More data for this
Ligand-Target Pair | |
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