Found 13 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)) | BDBM50308243
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccccc1O)CC(O)=O |r| Show InChI InChI=1S/C30H36N4O6/c1-18(2)27(34-29(39)22-13-12-20-8-4-5-9-21(20)14-22)30(40)32-19(3)28(38)33-24(15-26(36)37)17-31-16-23-10-6-7-11-25(23)35/h4-14,18-19,24,27,31,35H,15-17H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t19-,24-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308235
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CN(C)C1CCCCC1)CC(O)=O |r| Show InChI InChI=1S/C30H42N4O5/c1-19(2)27(33-29(38)23-15-14-21-10-8-9-11-22(21)16-23)30(39)31-20(3)28(37)32-24(17-26(35)36)18-34(4)25-12-6-5-7-13-25/h8-11,14-16,19-20,24-25,27H,5-7,12-13,17-18H2,1-4H3,(H,31,39)(H,32,37)(H,33,38)(H,35,36)/t20-,24-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308238
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccc2OCOc2c1)CC(O)=O |r| Show InChI InChI=1S/C31H36N4O7/c1-18(2)28(35-30(39)23-10-9-21-6-4-5-7-22(21)13-23)31(40)33-19(3)29(38)34-24(14-27(36)37)16-32-15-20-8-11-25-26(12-20)42-17-41-25/h4-13,18-19,24,28,32H,14-17H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)(H,36,37)/t19-,24-,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
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308233
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccccc1)CC(O)=O |r| Show InChI InChI=1S/C30H36N4O5/c1-19(2)27(34-29(38)24-14-13-22-11-7-8-12-23(22)15-24)30(39)32-20(3)28(37)33-25(16-26(35)36)18-31-17-21-9-5-4-6-10-21/h4-15,19-20,25,27,31H,16-18H2,1-3H3,(H,32,39)(H,33,37)(H,34,38)(H,35,36)/t20-,25-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308237
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNC1CCCCC1)CC(O)=O |r| Show InChI InChI=1S/C29H40N4O5/c1-18(2)26(33-28(37)22-14-13-20-9-7-8-10-21(20)15-22)29(38)31-19(3)27(36)32-24(16-25(34)35)17-30-23-11-5-4-6-12-23/h7-10,13-15,18-19,23-24,26,30H,4-6,11-12,16-17H2,1-3H3,(H,31,38)(H,32,36)(H,33,37)(H,34,35)/t19-,24-,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
| 945 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308241
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES COc1ccccc1CNC[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H38N4O6/c1-19(2)28(35-30(39)23-14-13-21-9-5-6-10-22(21)15-23)31(40)33-20(3)29(38)34-25(16-27(36)37)18-32-17-24-11-7-8-12-26(24)41-4/h5-15,19-20,25,28,32H,16-18H2,1-4H3,(H,33,40)(H,34,38)(H,35,39)(H,36,37)/t20-,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
| 965 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308242
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccccc1F)CC(O)=O |r| Show InChI InChI=1S/C30H35FN4O5/c1-18(2)27(35-29(39)22-13-12-20-8-4-5-9-21(20)14-22)30(40)33-19(3)28(38)34-24(15-26(36)37)17-32-16-23-10-6-7-11-25(23)31/h4-14,18-19,24,27,32H,15-17H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)(H,36,37)/t19-,24-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308240
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccc(O)cc1)CC(O)=O |r| Show InChI InChI=1S/C30H36N4O6/c1-18(2)27(34-29(39)23-11-10-21-6-4-5-7-22(21)14-23)30(40)32-19(3)28(38)33-24(15-26(36)37)17-31-16-20-8-12-25(35)13-9-20/h4-14,18-19,24,27,31,35H,15-17H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t19-,24-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308239
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccc(cc1)C(N)=O)CC(O)=O |r| Show InChI InChI=1S/C31H37N5O6/c1-18(2)27(36-30(41)24-13-12-21-6-4-5-7-23(21)14-24)31(42)34-19(3)29(40)35-25(15-26(37)38)17-33-16-20-8-10-22(11-9-20)28(32)39/h4-14,18-19,25,27,33H,15-17H2,1-3H3,(H2,32,39)(H,34,42)(H,35,40)(H,36,41)(H,37,38)/t19-,25-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308236
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CN(C)Cc1ccccc1)CC(O)=O |r| Show InChI InChI=1S/C31H38N4O5/c1-20(2)28(34-30(39)25-15-14-23-12-8-9-13-24(23)16-25)31(40)32-21(3)29(38)33-26(17-27(36)37)19-35(4)18-22-10-6-5-7-11-22/h5-16,20-21,26,28H,17-19H2,1-4H3,(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t21-,26-,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
| 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308234
((R)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CCCc1ccccc1)CC(O)=O |r| Show InChI InChI=1S/C31H37N3O5/c1-20(2)28(34-30(38)25-17-16-23-13-7-8-14-24(23)18-25)31(39)32-21(3)29(37)33-26(19-27(35)36)15-9-12-22-10-5-4-6-11-22/h4-8,10-11,13-14,16-18,20-21,26,28H,9,12,15,19H2,1-3H3,(H,32,39)(H,33,37)(H,34,38)(H,35,36)/t21-,26+,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
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50308244
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C23H27N3O6/c1-13(2)20(23(32)24-14(3)21(30)25-18(12-27)11-19(28)29)26-22(31)17-9-8-15-6-4-5-7-16(15)10-17/h4-10,12-14,18,20H,11H2,1-3H3,(H,24,32)(H,25,30)(H,26,31)(H,28,29)/t14-,18-,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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 1 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50308243
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccccc1O)CC(O)=O |r| Show InChI InChI=1S/C30H36N4O6/c1-18(2)27(34-29(39)22-13-12-20-8-4-5-9-21(20)14-22)30(40)32-19(3)28(38)33-24(15-26(36)37)17-31-16-23-10-6-7-11-25(23)35/h4-14,18-19,24,27,31,35H,15-17H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t19-,24-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of caspase 8 |
J Med Chem 53: 2651-5 (2010)
Article DOI: 10.1021/jm901790w
BindingDB Entry DOI: 10.7270/Q2XK8FNS |
More data for this
Ligand-Target Pair | |
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