Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50032149 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)) | BDBM50324937
((R)-2-((S)-2-isopropyl-4-(2-(naphthalen-1-yl)ethyl...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C23H28N2O5/c1-15(2)20(23(30)25-18(14-26)12-22(28)29)13-21(27)24-11-10-17-8-5-7-16-6-3-4-9-19(16)17/h3-9,14-15,18,20H,10-13H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t18-,20-/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
| 0.580 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50199769
((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...)Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12)C=O Show InChI InChI=1S/C24H25N5O7/c30-13-15(12-20(32)33)26-22(34)18-6-3-11-28-19(31)8-7-17(24(36)29(18)28)27-23(35)21-16-5-2-1-4-14(16)9-10-25-21/h1-2,4-5,9-10,13,15,17-18H,3,6-8,11-12H2,(H,26,34)(H,27,35)(H,32,33)/t15-,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
Patents
Similars
| Article PubMed
| 0.600 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM10355
((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 |r| Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324953
((R)-2-((S)-4-(2-(1,2-dimethyl-1H-indol-3-yl)ethyla...)Show SMILES CC(C)[C@H](CC(=O)NCCc1c(C)n(C)c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C23H31N3O5/c1-14(2)19(23(31)25-16(13-27)11-22(29)30)12-21(28)24-10-9-17-15(3)26(4)20-8-6-5-7-18(17)20/h5-8,13-14,16,19H,9-12H2,1-4H3,(H,24,28)(H,25,31)(H,29,30)/t16-,19-/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
| 0.900 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324938
((R)-2-((S)-4-(2-(3-chlorophenylamino)ethylamino)-2...)Show SMILES CC(C)[C@H](CC(=O)NCCNc1cccc(Cl)c1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C19H26ClN3O5/c1-12(2)16(19(28)23-15(11-24)9-18(26)27)10-17(25)22-7-6-21-14-5-3-4-13(20)8-14/h3-5,8,11-12,15-16,21H,6-7,9-10H2,1-2H3,(H,22,25)(H,23,28)(H,26,27)/t15-,16-/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
| 0.950 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324960
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(2,5,6-trimethyl...)Show SMILES CC(C)[C@H](CC(=O)NCCn1c(C)nc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C23H32N4O5/c1-13(2)18(23(32)26-17(12-28)10-22(30)31)11-21(29)24-6-7-27-16(5)25-19-8-14(3)15(4)9-20(19)27/h8-9,12-13,17-18H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,32)(H,30,31)/t17-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.26 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324952
((R)-2-((S)-2-isopropyl-4-(2-(2-methyl-1H-indol-3-y...)Show SMILES CC(C)[C@H](CC(=O)NCCc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H29N3O5/c1-13(2)18(22(30)25-15(12-26)10-21(28)29)11-20(27)23-9-8-16-14(3)24-19-7-5-4-6-17(16)19/h4-7,12-13,15,18,24H,8-11H2,1-3H3,(H,23,27)(H,25,30)(H,28,29)/t15-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.29 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324946
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-4-yl)e...)Show SMILES CC(C)[C@H](CC(=O)NCCc1ccnc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)18(22(30)25-16(13-26)11-21(28)29)12-20(27)24-10-8-15-7-9-23-19-6-4-3-5-17(15)19/h3-7,9,13-14,16,18H,8,10-12H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t16-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.31 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324948
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-5-yl)e...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2ncccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)18(22(30)25-16(13-26)11-21(28)29)12-20(27)24-10-8-15-5-3-7-19-17(15)6-4-9-23-19/h3-7,9,13-14,16,18H,8,10-12H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t16-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.81 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324957
((R)-2-((S)-4-(2-(5,6-dimethyl-1H-benzo[d]imidazol-...)Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H30N4O5/c1-13(2)17(22(31)25-16(11-27)9-21(29)30)10-20(28)23-5-6-26-12-24-18-7-14(3)15(4)8-19(18)26/h7-8,11-13,16-17H,5-6,9-10H2,1-4H3,(H,23,28)(H,25,31)(H,29,30)/t16-,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
| 2.81 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324947
((R)-2-((S)-4-(2-(2-(dimethylamino)quinolin-4-yl)et...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cc(nc2ccccc12)N(C)C)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C24H32N4O5/c1-15(2)19(24(33)26-17(14-29)12-23(31)32)13-22(30)25-10-9-16-11-21(28(3)4)27-20-8-6-5-7-18(16)20/h5-8,11,14-15,17,19H,9-10,12-13H2,1-4H3,(H,25,30)(H,26,33)(H,31,32)/t17-,19-/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
| 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324959
((S)-3-((S)-2-isopropyl-4-oxo-4-(2-(2-(pyridin-3-yl...)Show SMILES CC(C)[C@H](CC(=O)NCCn1c(nc2ccccc12)-c1cccnc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C25H29N5O5/c1-16(2)19(25(35)28-18(15-31)12-23(33)34)13-22(32)27-10-11-30-21-8-4-3-7-20(21)29-24(30)17-6-5-9-26-14-17/h3-9,14-16,18-19H,10-13H2,1-2H3,(H,27,32)(H,28,35)(H,33,34)/t18-,19-/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
| 3.85 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324954
((R)-2-((S)-4-(2-(1H-indol-1-yl)ethylamino)-2-isopr...)Show SMILES CC(C)[C@H](CC(=O)NCCn1ccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H27N3O5/c1-14(2)17(21(29)23-16(13-25)11-20(27)28)12-19(26)22-8-10-24-9-7-15-5-3-4-6-18(15)24/h3-7,9,13-14,16-17H,8,10-12H2,1-2H3,(H,22,26)(H,23,29)(H,27,28)/t16-,17-/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
| 4.03 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324950
((R)-2-((S)-2-isopropyl-4-(2-(isoquinolin-4-yl)ethy...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cncc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)19(22(30)25-17(13-26)9-21(28)29)10-20(27)24-8-7-16-12-23-11-15-5-3-4-6-18(15)16/h3-6,11-14,17,19H,7-10H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t17-,19-/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
| 4.30 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324958
((S)-3-((S)-2-isopropyl-4-(2-(2-methyl-1H-benzo[d]i...)Show SMILES CC(C)[C@H](CC(=O)NCCn1c(C)nc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H28N4O5/c1-13(2)16(21(30)24-15(12-26)10-20(28)29)11-19(27)22-8-9-25-14(3)23-17-6-4-5-7-18(17)25/h4-7,12-13,15-16H,8-11H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/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
| 4.68 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324956
((R)-2-((S)-2-isopropyl-4-(2-(5-methyl-1H-benzo[d]i...)Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H28N4O5/c1-13(2)16(21(30)24-15(11-26)9-20(28)29)10-19(27)22-6-7-25-12-23-17-8-14(3)4-5-18(17)25/h4-5,8,11-13,15-16H,6-7,9-10H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/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
| 4.85 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324936
((R)-2-((S)-4-(2-(1H-indol-3-yl)ethylamino)-2-isopr...)Show SMILES CC(C)[C@H](CC(=O)NCCc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H27N3O5/c1-13(2)17(21(29)24-15(12-25)9-20(27)28)10-19(26)22-8-7-14-11-23-18-6-4-3-5-16(14)18/h3-6,11-13,15,17,23H,7-10H2,1-2H3,(H,22,26)(H,24,29)(H,27,28)/t15-,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
| 5.02 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Mus musculus) | BDBM50199769
((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...)Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12)C=O Show InChI InChI=1S/C24H25N5O7/c30-13-15(12-20(32)33)26-22(34)18-6-3-11-28-19(31)8-7-17(24(36)29(18)28)27-23(35)21-16-5-2-1-4-14(16)9-10-25-21/h1-2,4-5,9-10,13,15,17-18H,3,6-8,11-12H2,(H,26,34)(H,27,35)(H,32,33)/t15-,17-,18-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 mouse ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324935
((R)-2-((S)-4-(2-(5-fluoro-1H-indol-3-yl)ethylamino...)Show SMILES CC(C)[C@H](CC(=O)NCCc1c[nH]c2ccc(F)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H26FN3O5/c1-12(2)16(21(30)25-15(11-26)8-20(28)29)9-19(27)23-6-5-13-10-24-18-4-3-14(22)7-17(13)18/h3-4,7,10-12,15-16,24H,5-6,8-9H2,1-2H3,(H,23,27)(H,25,30)(H,28,29)/t15-,16-/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
| 7.90 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Mus musculus) | BDBM10355
((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 |r| Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | 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 mouse ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324940
((R)-2-((S)-4-((2-carboxyethyl)(2-phenoxyethyl)amin...)Show SMILES CC(C)[C@H](CC(=O)N(CCOc1ccccc1)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H30N2O8/c1-15(2)18(22(31)23-16(14-25)12-21(29)30)13-19(26)24(9-8-20(27)28)10-11-32-17-6-4-3-5-7-17/h3-7,14-16,18H,8-13H2,1-2H3,(H,23,31)(H,27,28)(H,29,30)/t16-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.24 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Mus musculus) | BDBM50324952
((R)-2-((S)-2-isopropyl-4-(2-(2-methyl-1H-indol-3-y...)Show SMILES CC(C)[C@H](CC(=O)NCCc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H29N3O5/c1-13(2)18(22(30)25-15(12-26)10-21(28)29)11-20(27)23-9-8-16-14(3)24-19-7-5-4-6-17(16)19/h4-7,12-13,15,18,24H,8-11H2,1-3H3,(H,23,27)(H,25,30)(H,28,29)/t15-,18-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13.4 | 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 mouse ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Mus musculus) | BDBM50324948
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-5-yl)e...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2ncccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)18(22(30)25-16(13-26)11-21(28)29)12-20(27)24-10-8-15-5-3-7-19-17(15)6-4-9-23-19/h3-7,9,13-14,16,18H,8,10-12H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t16-,18-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14.4 | 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 mouse ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324949
((R)-2-((S)-4-(2-(2-(2-(dimethylamino)ethoxy)quinol...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2nc(OCCN(C)C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C26H36N4O6/c1-17(2)21(26(35)28-19(16-31)14-25(33)34)15-23(32)27-11-10-18-6-5-7-22-20(18)8-9-24(29-22)36-13-12-30(3)4/h5-9,16-17,19,21H,10-15H2,1-4H3,(H,27,32)(H,28,35)(H,33,34)/t19-,21-/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
| 16.7 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324942
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-phenoxyethylamin...)Show SMILES CC(C)[C@H](CC(=O)NCCOc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C19H26N2O6/c1-13(2)16(19(26)21-14(12-22)10-18(24)25)11-17(23)20-8-9-27-15-6-4-3-5-7-15/h3-7,12-14,16H,8-11H2,1-2H3,(H,20,23)(H,21,26)(H,24,25)/t14-,16-/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
| 16.9 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Mus musculus) | BDBM50324958
((S)-3-((S)-2-isopropyl-4-(2-(2-methyl-1H-benzo[d]i...)Show SMILES CC(C)[C@H](CC(=O)NCCn1c(C)nc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H28N4O5/c1-13(2)16(21(30)24-15(12-26)10-20(28)29)11-19(27)22-8-9-25-14(3)23-17-6-4-5-7-18(17)25/h4-7,12-13,15-16H,8-11H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18.7 | 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 mouse ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324955
((R)-2-((S)-4-(2-(1H-benzo[d]imidazol-1-yl)ethylami...)Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H26N4O5/c1-13(2)15(20(29)23-14(11-25)9-19(27)28)10-18(26)21-7-8-24-12-22-16-5-3-4-6-17(16)24/h3-6,11-15H,7-10H2,1-2H3,(H,21,26)(H,23,29)(H,27,28)/t14-,15-/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
| 20 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324939
((2R)-2-((2S)-2-isopropyl-4-oxo-4-(3-phenoxypiperid...)Show SMILES CC(C)[C@H](CC(=O)N1CCCC(C1)Oc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H30N2O6/c1-15(2)19(22(29)23-16(14-25)11-21(27)28)12-20(26)24-10-6-9-18(13-24)30-17-7-4-3-5-8-17/h3-5,7-8,14-16,18-19H,6,9-13H2,1-2H3,(H,23,29)(H,27,28)/t16-,18?,19-/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
| 21.5 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324944
((R)-2-((S)-2-isopropyl-4-(3-(4-methoxyphenyl)propy...)Show SMILES COc1ccc(CCCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C21H30N2O6/c1-14(2)18(21(28)23-16(13-24)11-20(26)27)12-19(25)22-10-4-5-15-6-8-17(29-3)9-7-15/h6-9,13-14,16,18H,4-5,10-12H2,1-3H3,(H,22,25)(H,23,28)(H,26,27)/t16-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 70.9 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324941
((R)-2-((S)-2-isopropyl-4-(isopropyl(2-phenoxyethyl...)Show SMILES CC(C)[C@H](CC(=O)N(CCOc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H32N2O6/c1-15(2)19(22(29)23-17(14-25)12-21(27)28)13-20(26)24(16(3)4)10-11-30-18-8-6-5-7-9-18/h5-9,14-17,19H,10-13H2,1-4H3,(H,23,29)(H,27,28)/t17-,19-/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
| 100 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324945
((R)-2-((S)-2-isopropyl-4-oxo-4-(3-phenylpropylamin...)Show SMILES CC(C)[C@H](CC(=O)NCCCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H28N2O5/c1-14(2)17(20(27)22-16(13-23)11-19(25)26)12-18(24)21-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14,16-17H,6,9-12H2,1-2H3,(H,21,24)(H,22,27)(H,25,26)/t16-,17-/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
| 115 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324943
((S)-3-((S)-2-isopropyl-4-oxo-4-(3-oxo-3-phenylprop...)Show SMILES CC(C)[C@H](CC(=O)NCCC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H26N2O6/c1-13(2)16(20(28)22-15(12-23)10-19(26)27)11-18(25)21-9-8-17(24)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,21,25)(H,22,28)(H,26,27)/t15-,16-/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
| 118 | 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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324951
((R)-2-((S)-2-isopropyl-4-oxo-4-(4-phenylpiperazin-...)Show SMILES CC(C)[C@H](CC(=O)N1CCN(CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H29N3O5/c1-15(2)18(21(29)22-16(14-25)12-20(27)28)13-19(26)24-10-8-23(9-11-24)17-6-4-3-5-7-17/h3-7,14-16,18H,8-13H2,1-2H3,(H,22,29)(H,27,28)/t16-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.02E+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 human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50199769
((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...)Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12)C=O Show InChI InChI=1S/C24H25N5O7/c30-13-15(12-20(32)33)26-22(34)18-6-3-11-28-19(31)8-7-17(24(36)29(18)28)27-23(35)21-16-5-2-1-4-14(16)9-10-25-21/h1-2,4-5,9-10,13,15,17-18H,3,6-8,11-12H2,(H,26,34)(H,27,35)(H,32,33)/t15-,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
Patents
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324947
((R)-2-((S)-4-(2-(2-(dimethylamino)quinolin-4-yl)et...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cc(nc2ccccc12)N(C)C)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C24H32N4O5/c1-15(2)19(24(33)26-17(14-29)12-23(31)32)13-22(30)25-10-9-16-11-21(28(3)4)27-20-8-6-5-7-18(16)20/h5-8,11,14-15,17,19H,9-10,12-13H2,1-4H3,(H,25,30)(H,26,33)(H,31,32)/t17-,19-/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
| n/a | n/a | 3.61 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324946
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-4-yl)e...)Show SMILES CC(C)[C@H](CC(=O)NCCc1ccnc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)18(22(30)25-16(13-26)11-21(28)29)12-20(27)24-10-8-15-7-9-23-19-6-4-3-5-17(15)19/h3-7,9,13-14,16,18H,8,10-12H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t16-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.77 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324937
((R)-2-((S)-2-isopropyl-4-(2-(naphthalen-1-yl)ethyl...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C23H28N2O5/c1-15(2)20(23(30)25-18(14-26)12-22(28)29)13-21(27)24-11-10-17-8-5-7-16-6-3-4-9-19(16)17/h3-9,14-15,18,20H,10-13H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t18-,20-/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
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324948
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-5-yl)e...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2ncccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)18(22(30)25-16(13-26)11-21(28)29)12-20(27)24-10-8-15-5-3-7-19-17(15)6-4-9-23-19/h3-7,9,13-14,16,18H,8,10-12H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t16-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.81 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324960
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(2,5,6-trimethyl...)Show SMILES CC(C)[C@H](CC(=O)NCCn1c(C)nc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C23H32N4O5/c1-13(2)18(23(32)26-17(12-28)10-22(30)31)11-21(29)24-6-7-27-16(5)25-19-8-14(3)15(4)9-20(19)27/h8-9,12-13,17-18H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,32)(H,30,31)/t17-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324938
((R)-2-((S)-4-(2-(3-chlorophenylamino)ethylamino)-2...)Show SMILES CC(C)[C@H](CC(=O)NCCNc1cccc(Cl)c1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C19H26ClN3O5/c1-12(2)16(19(28)23-15(11-24)9-18(26)27)10-17(25)22-7-6-21-14-5-3-4-13(20)8-14/h3-5,8,11-12,15-16,21H,6-7,9-10H2,1-2H3,(H,22,25)(H,23,28)(H,26,27)/t15-,16-/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 | 11.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324950
((R)-2-((S)-2-isopropyl-4-(2-(isoquinolin-4-yl)ethy...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cncc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)19(22(30)25-17(13-26)9-21(28)29)10-20(27)24-8-7-16-12-23-11-15-5-3-4-6-18(15)16/h3-6,11-14,17,19H,7-10H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t17-,19-/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324957
((R)-2-((S)-4-(2-(5,6-dimethyl-1H-benzo[d]imidazol-...)Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H30N4O5/c1-13(2)17(22(31)25-16(11-27)9-21(29)30)10-20(28)23-5-6-26-12-24-18-7-14(3)15(4)8-19(18)26/h7-8,11-13,16-17H,5-6,9-10H2,1-4H3,(H,23,28)(H,25,31)(H,29,30)/t16-,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
| n/a | n/a | 14.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324956
((R)-2-((S)-2-isopropyl-4-(2-(5-methyl-1H-benzo[d]i...)Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H28N4O5/c1-13(2)16(21(30)24-15(11-26)9-20(28)29)10-19(27)22-6-7-25-12-23-17-8-14(3)4-5-18(17)25/h4-5,8,11-13,15-16H,6-7,9-10H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/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 | 15.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM10355
((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 |r| Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324952
((R)-2-((S)-2-isopropyl-4-(2-(2-methyl-1H-indol-3-y...)Show SMILES CC(C)[C@H](CC(=O)NCCc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H29N3O5/c1-13(2)18(22(30)25-15(12-26)10-21(28)29)11-20(27)23-9-8-16-14(3)24-19-7-5-4-6-17(16)19/h4-7,12-13,15,18,24H,8-11H2,1-3H3,(H,23,27)(H,25,30)(H,28,29)/t15-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324936
((R)-2-((S)-4-(2-(1H-indol-3-yl)ethylamino)-2-isopr...)Show SMILES CC(C)[C@H](CC(=O)NCCc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H27N3O5/c1-13(2)17(21(29)24-15(12-25)9-20(27)28)10-19(26)22-8-7-14-11-23-18-6-4-3-5-16(14)18/h3-6,11-13,15,17,23H,7-10H2,1-2H3,(H,22,26)(H,24,29)(H,27,28)/t15-,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
| n/a | n/a | 23.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324958
((S)-3-((S)-2-isopropyl-4-(2-(2-methyl-1H-benzo[d]i...)Show SMILES CC(C)[C@H](CC(=O)NCCn1c(C)nc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H28N4O5/c1-13(2)16(21(30)24-15(12-26)10-20(28)29)11-19(27)22-8-9-25-14(3)23-17-6-4-5-7-18(17)25/h4-7,12-13,15-16H,8-11H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/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 | 23.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324959
((S)-3-((S)-2-isopropyl-4-oxo-4-(2-(2-(pyridin-3-yl...)Show SMILES CC(C)[C@H](CC(=O)NCCn1c(nc2ccccc12)-c1cccnc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C25H29N5O5/c1-16(2)19(25(35)28-18(15-31)12-23(33)34)13-22(32)27-10-11-30-21-8-4-3-7-20(21)29-24(30)17-6-5-9-26-14-17/h3-9,14-16,18-19H,10-13H2,1-2H3,(H,27,32)(H,28,35)(H,33,34)/t18-,19-/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
| n/a | n/a | 26.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324955
((R)-2-((S)-4-(2-(1H-benzo[d]imidazol-1-yl)ethylami...)Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H26N4O5/c1-13(2)15(20(29)23-14(11-25)9-19(27)28)10-18(26)21-7-8-24-12-22-16-5-3-4-6-17(16)24/h3-6,11-15H,7-10H2,1-2H3,(H,21,26)(H,23,29)(H,27,28)/t14-,15-/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 | 33.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324935
((R)-2-((S)-4-(2-(5-fluoro-1H-indol-3-yl)ethylamino...)Show SMILES CC(C)[C@H](CC(=O)NCCc1c[nH]c2ccc(F)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H26FN3O5/c1-12(2)16(21(30)25-15(11-26)8-20(28)29)9-19(27)23-6-5-13-10-24-18-4-3-14(22)7-17(13)18/h3-4,7,10-12,15-16,24H,5-6,8-9H2,1-2H3,(H,23,27)(H,25,30)(H,28,29)/t15-,16-/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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |