Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50007882 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)) | BDBM50068972
((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C33H34N4O6/c1-2-28(32(42)36-27(20-30(39)40)29(38)21-34-17-16-22-9-4-3-5-10-22)37-18-8-13-26(33(37)43)35-31(41)25-15-14-23-11-6-7-12-24(23)19-25/h3-15,18-19,27-28,34H,2,16-17,20-21H2,1H3,(H,35,41)(H,36,42)(H,39,40)/t27-,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
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068954
((S)-5-Butylamino-3-(2-{3-[(naphthalene-2-carbonyl)...)Show SMILES CCCCNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H34N4O6/c1-3-5-14-30-18-25(34)23(17-26(35)36)32-28(38)24(4-2)33-15-8-11-22(29(33)39)31-27(37)21-13-12-19-9-6-7-10-20(19)16-21/h6-13,15-16,23-24,30H,3-5,14,17-18H2,1-2H3,(H,31,37)(H,32,38)(H,35,36)/t23-,24?/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
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068949
((S)-5-Hexylamino-3-(2-{3-[(naphthalene-2-carbonyl)...)Show SMILES CCCCCCNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H38N4O6/c1-3-5-6-9-16-32-20-27(36)25(19-28(37)38)34-30(40)26(4-2)35-17-10-13-24(31(35)41)33-29(39)23-15-14-21-11-7-8-12-22(21)18-23/h7-8,10-15,17-18,25-26,32H,3-6,9,16,19-20H2,1-2H3,(H,33,39)(H,34,40)(H,37,38)/t25-,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
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068950
((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C34H36N4O6/c1-2-29(33(43)37-28(21-31(40)41)30(39)22-35-18-8-12-23-10-4-3-5-11-23)38-19-9-15-27(34(38)44)36-32(42)26-17-16-24-13-6-7-14-25(24)20-26/h3-7,9-11,13-17,19-20,28-29,35H,2,8,12,18,21-22H2,1H3,(H,36,42)(H,37,43)(H,40,41)/t28-,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
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068945
((S)-5-(Hexyl-methyl-amino)-3-(2-{3-[(naphthalene-2...)Show SMILES CCCCCCN(C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C32H40N4O6/c1-4-6-7-10-17-35(3)21-28(37)26(20-29(38)39)34-31(41)27(5-2)36-18-11-14-25(32(36)42)33-30(40)24-16-15-22-12-8-9-13-23(22)19-24/h8-9,11-16,18-19,26-27H,4-7,10,17,20-21H2,1-3H3,(H,33,40)(H,34,41)(H,38,39)/t26-,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
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068953
((S)-5-(Butyl-ethyl-amino)-3-(2-{3-[(naphthalene-2-...)Show SMILES CCCCN(CC)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H38N4O6/c1-4-7-16-34(6-3)20-27(36)25(19-28(37)38)33-30(40)26(5-2)35-17-10-13-24(31(35)41)32-29(39)23-15-14-21-11-8-9-12-22(21)18-23/h8-15,17-18,25-26H,4-7,16,19-20H2,1-3H3,(H,32,39)(H,33,40)(H,37,38)/t25-,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
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068951
((S)-5-Dihexylamino-3-(2-{3-[(naphthalene-2-carbony...)Show SMILES CCCCCCN(CCCCCC)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C37H50N4O6/c1-4-7-9-13-21-40(22-14-10-8-5-2)26-33(42)31(25-34(43)44)39-36(46)32(6-3)41-23-15-18-30(37(41)47)38-35(45)29-20-19-27-16-11-12-17-28(27)24-29/h11-12,15-20,23-24,31-32H,4-10,13-14,21-22,25-26H2,1-3H3,(H,38,45)(H,39,46)(H,43,44)/t31-,32?/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
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068962
((S)-5-(Butyl-methyl-amino)-3-(2-{3-[(naphthalene-2...)Show SMILES CCCCN(C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H36N4O6/c1-4-6-15-33(3)19-26(35)24(18-27(36)37)32-29(39)25(5-2)34-16-9-12-23(30(34)40)31-28(38)22-14-13-20-10-7-8-11-21(20)17-22/h7-14,16-17,24-25H,4-6,15,18-19H2,1-3H3,(H,31,38)(H,32,39)(H,36,37)/t24-,25?/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
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068957
((S)-5-Benzylamino-3-(2-{3-[(naphthalene-2-carbonyl...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C32H32N4O6/c1-2-27(31(41)35-26(18-29(38)39)28(37)20-33-19-21-9-4-3-5-10-21)36-16-8-13-25(32(36)42)34-30(40)24-15-14-22-11-6-7-12-23(22)17-24/h3-17,26-27,33H,2,18-20H2,1H3,(H,34,40)(H,35,41)(H,38,39)/t26-,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
| PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068967
(3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H34N4O6/c1-2-25(29(39)32-24(18-27(36)37)26(35)19-33-14-6-3-7-15-33)34-16-8-11-23(30(34)40)31-28(38)22-13-12-20-9-4-5-10-21(20)17-22/h4-5,8-13,16-17,24-25H,2-3,6-7,14-15,18-19H2,1H3,(H,31,38)(H,32,39)(H,36,37) | 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 |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068966
((S)-5-(Methyl-phenethyl-amino)-3-(2-{3-[(naphthale...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)CCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C34H36N4O6/c1-3-29(33(43)36-28(21-31(40)41)30(39)22-37(2)19-17-23-10-5-4-6-11-23)38-18-9-14-27(34(38)44)35-32(42)26-16-15-24-12-7-8-13-25(24)20-26/h4-16,18,20,28-29H,3,17,19,21-22H2,1-2H3,(H,35,42)(H,36,43)(H,40,41)/t28-,29?/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
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068965
(3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N4O6/c1-2-24(28(38)31-23(17-26(35)36)25(34)18-32-13-5-6-14-32)33-15-7-10-22(29(33)39)30-27(37)21-12-11-19-8-3-4-9-20(19)16-21/h3-4,7-12,15-16,23-24H,2,5-6,13-14,17-18H2,1H3,(H,30,37)(H,31,38)(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068952
(1-[4-Carboxy-3-(2-{3-[(naphthalene-2-carbonyl)-ami...)Show SMILES CCOC(=O)C1CCN(CC(=O)C(CC(O)=O)NC(=O)C(CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1 Show InChI InChI=1S/C33H38N4O8/c1-3-27(31(42)35-26(19-29(39)40)28(38)20-36-16-13-22(14-17-36)33(44)45-4-2)37-15-7-10-25(32(37)43)34-30(41)24-12-11-21-8-5-6-9-23(21)18-24/h5-12,15,18,22,26-27H,3-4,13-14,16-17,19-20H2,1-2H3,(H,34,41)(H,35,42)(H,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068955
(3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N4O6S/c1-2-24(28(38)31-23(17-26(35)36)25(34)18-32-12-14-40-15-13-32)33-11-5-8-22(29(33)39)30-27(37)21-10-9-19-6-3-4-7-20(19)16-21/h3-11,16,23-24H,2,12-15,17-18H2,1H3,(H,30,37)(H,31,38)(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068971
(5-(4-Carbamoyl-piperidin-1-yl)-3-(2-{3-[(naphthale...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCC(CC1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H35N5O7/c1-2-25(30(42)34-24(17-27(38)39)26(37)18-35-14-11-20(12-15-35)28(32)40)36-13-5-8-23(31(36)43)33-29(41)22-10-9-19-6-3-4-7-21(19)16-22/h3-10,13,16,20,24-25H,2,11-12,14-15,17-18H2,1H3,(H2,32,40)(H,33,41)(H,34,42)(H,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068970
((S)-5-Dimethylamino-3-(2-{3-[(naphthalene-2-carbon...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)C)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C27H30N4O6/c1-4-22(26(36)29-21(15-24(33)34)23(32)16-30(2)3)31-13-7-10-20(27(31)37)28-25(35)19-12-11-17-8-5-6-9-18(17)14-19/h5-14,21-22H,4,15-16H2,1-3H3,(H,28,35)(H,29,36)(H,33,34)/t21-,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
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068969
((S)-5-((R)-1-Carbamoyl-2-phenyl-ethylamino)-3-(2-{...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C34H35N5O7/c1-2-28(39-16-8-13-25(34(39)46)37-32(44)24-15-14-22-11-6-7-12-23(22)18-24)33(45)38-26(19-30(41)42)29(40)20-36-27(31(35)43)17-21-9-4-3-5-10-21/h3-16,18,26-28,36H,2,17,19-20H2,1H3,(H2,35,43)(H,37,44)(H,38,45)(H,41,42)/t26-,27+,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
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068973
(5-Hexanoylamino-3-(2-{3-[(naphthalene-2-carbonyl)-...)Show SMILES CCCCCC(=O)NCC(=O)C(CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H36N4O7/c1-3-5-6-13-27(37)32-19-26(36)24(18-28(38)39)34-30(41)25(4-2)35-16-9-12-23(31(35)42)33-29(40)22-15-14-20-10-7-8-11-21(20)17-22/h7-12,14-17,24-25H,3-6,13,18-19H2,1-2H3,(H,32,37)(H,33,40)(H,34,41)(H,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068947
((S)-5-[(3-Carbamoyl-propyl)-methyl-amino]-3-(2-{3-...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)CCCC(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H35N5O7/c1-3-24(29(41)33-23(17-27(38)39)25(36)18-34(2)14-7-11-26(31)37)35-15-6-10-22(30(35)42)32-28(40)21-13-12-19-8-4-5-9-20(19)16-21/h4-6,8-10,12-13,15-16,23-24H,3,7,11,14,17-18H2,1-2H3,(H2,31,37)(H,32,40)(H,33,41)(H,38,39)/t23-,24?/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
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068944
(5-Morpholin-4-yl-3-(2-{3-[(naphthalene-2-carbonyl)...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCOCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N4O7/c1-2-24(28(38)31-23(17-26(35)36)25(34)18-32-12-14-40-15-13-32)33-11-5-8-22(29(33)39)30-27(37)21-10-9-19-6-3-4-7-20(19)16-21/h3-11,16,23-24H,2,12-15,17-18H2,1H3,(H,30,37)(H,31,38)(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068946
((S)-5-(Benzyl-methyl-amino)-3-(2-{3-[(naphthalene-...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)Cc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C33H34N4O6/c1-3-28(32(42)35-27(19-30(39)40)29(38)21-36(2)20-22-10-5-4-6-11-22)37-17-9-14-26(33(37)43)34-31(41)25-16-15-23-12-7-8-13-24(23)18-25/h4-18,27-28H,3,19-21H2,1-2H3,(H,34,41)(H,35,42)(H,39,40)/t27-,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
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068968
(5-Benzoylamino-3-(2-{3-[(naphthalene-2-carbonyl)-a...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C32H30N4O7/c1-2-26(31(42)35-25(18-28(38)39)27(37)19-33-29(40)21-10-4-3-5-11-21)36-16-8-13-24(32(36)43)34-30(41)23-15-14-20-9-6-7-12-22(20)17-23/h3-17,25-26H,2,18-19H2,1H3,(H,33,40)(H,34,41)(H,35,42)(H,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068958
(5-(4-Methyl-piperazin-1-yl)-3-(2-{3-[(naphthalene-...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCN(C)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H35N5O6/c1-3-25(29(40)32-24(18-27(37)38)26(36)19-34-15-13-33(2)14-16-34)35-12-6-9-23(30(35)41)31-28(39)22-11-10-20-7-4-5-8-21(20)17-22/h4-12,17,24-25H,3,13-16,18-19H2,1-2H3,(H,31,39)(H,32,40)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068960
((S)-5-((S)-1-Carbamoyl-2-phenyl-ethylamino)-3-(2-{...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C34H35N5O7/c1-2-28(39-16-8-13-25(34(39)46)37-32(44)24-15-14-22-11-6-7-12-23(22)18-24)33(45)38-26(19-30(41)42)29(40)20-36-27(31(35)43)17-21-9-4-3-5-10-21/h3-16,18,26-28,36H,2,17,19-20H2,1H3,(H2,35,43)(H,37,44)(H,38,45)(H,41,42)/t26-,27-,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
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068948
(5-Butyrylamino-3-(2-{3-[(naphthalene-2-carbonyl)-a...)Show SMILES CCCC(=O)NCC(=O)C(CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N4O7/c1-3-8-25(35)30-17-24(34)22(16-26(36)37)32-28(39)23(4-2)33-14-7-11-21(29(33)40)31-27(38)20-13-12-18-9-5-6-10-19(18)15-20/h5-7,9-15,22-23H,3-4,8,16-17H2,1-2H3,(H,30,35)(H,31,38)(H,32,39)(H,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068963
(5-Acetylamino-3-(2-{3-[(naphthalene-2-carbonyl)-am...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CNC(C)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C27H28N4O7/c1-3-22(26(37)30-21(14-24(34)35)23(33)15-28-16(2)32)31-12-6-9-20(27(31)38)29-25(36)19-11-10-17-7-4-5-8-18(17)13-19/h4-13,21-22H,3,14-15H2,1-2H3,(H,28,32)(H,29,36)(H,30,37)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068959
((S)-5-[((S)-1-Carbamoyl-2-phenyl-ethyl)-methyl-ami...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)[C@@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C35H37N5O7/c1-3-28(40-17-9-14-26(35(40)47)37-33(45)25-16-15-23-12-7-8-13-24(23)19-25)34(46)38-27(20-31(42)43)30(41)21-39(2)29(32(36)44)18-22-10-5-4-6-11-22/h4-17,19,27-29H,3,18,20-21H2,1-2H3,(H2,36,44)(H,37,45)(H,38,46)(H,42,43)/t27-,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
| PubMed
| 255 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068961
(3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)Cn1ccc(=O)cc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H28N4O7/c1-2-25(29(40)32-24(17-27(37)38)26(36)18-33-14-11-22(35)12-15-33)34-13-5-8-23(30(34)41)31-28(39)21-10-9-19-6-3-4-7-20(19)16-21/h3-16,24-25H,2,17-18H2,1H3,(H,31,39)(H,32,40)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 395 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068964
(3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCNCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H33N5O6/c1-2-24(28(39)32-23(17-26(36)37)25(35)18-33-14-11-30-12-15-33)34-13-5-8-22(29(34)40)31-27(38)21-10-9-19-6-3-4-7-20(19)16-21/h3-10,13,16,23-24,30H,2,11-12,14-15,17-18H2,1H3,(H,31,38)(H,32,39)(H,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50068956
(3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...)Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)Cn1ccccc1=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H28N4O7/c1-2-24(29(40)32-23(17-27(37)38)25(35)18-33-14-6-5-11-26(33)36)34-15-7-10-22(30(34)41)31-28(39)21-13-12-19-8-3-4-9-20(19)16-21/h3-16,23-24H,2,17-18H2,1H3,(H,31,39)(H,32,40)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme |
Bioorg Med Chem Lett 8: 959-64 (1999)
BindingDB Entry DOI: 10.7270/Q2ZP458C |
More data for this
Ligand-Target Pair | |
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