Found 288 hits with Last Name = 'talanian' and Initial = 'r' 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)) | BDBM50325237
((5S,8S,11S)-11-(2-(3,3-diphenylpropanoyloxy)acetyl...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H41N3O9/c1-23(2)33(39-36(46)48-21-25-13-7-4-8-14-25)35(45)37-24(3)34(44)38-29(20-31(41)42)30(40)22-47-32(43)19-28(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23-24,28-29,33H,19-22H2,1-3H3,(H,37,45)(H,38,44)(H,39,46)(H,41,42)/t24-,29-,33-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325241
(CHEMBL1223114)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CON1[C@H]2CCCC[C@H]2CC1=O |r| Show InChI InChI=1S/C29H40N4O9/c1-17(2)26(32-29(40)41-15-19-9-5-4-6-10-19)28(39)30-18(3)27(38)31-21(14-25(36)37)23(34)16-42-33-22-12-8-7-11-20(22)13-24(33)35/h4-6,9-10,17-18,20-22,26H,7-8,11-16H2,1-3H3,(H,30,39)(H,31,38)(H,32,40)(H,36,37)/t18-,20-,21-,22-,26-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | 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)) | BDBM50325238
((5S,8S,11S)-11-(2-(2-benzyl-3-phenylpropanoyloxy)a...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H43N3O9/c1-24(2)33(40-37(47)49-22-28-17-11-6-12-18-28)35(45)38-25(3)34(44)39-30(21-32(42)43)31(41)23-48-36(46)29(19-26-13-7-4-8-14-26)20-27-15-9-5-10-16-27/h4-18,24-25,29-30,33H,19-23H2,1-3H3,(H,38,45)(H,39,44)(H,40,47)(H,42,43)/t25-,30-,33-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325240
(CHEMBL1223113)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COn1c(O)cc2ccccc12 |r| Show InChI InChI=1S/C29H34N4O9/c1-17(2)26(32-29(40)41-15-19-9-5-4-6-10-19)28(39)30-18(3)27(38)31-21(14-25(36)37)23(34)16-42-33-22-12-8-7-11-20(22)13-24(33)35/h4-13,17-18,21,26,35H,14-16H2,1-3H3,(H,30,39)(H,31,38)(H,32,40)(H,36,37)/t18-,21-,26-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | 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)) | BDBM50325236
((5S,8S,11S)-5-isopropyl-8-methyl-11-(2-(2-(naphtha...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C33H37N3O9/c1-20(2)30(36-33(43)45-18-22-10-5-4-6-11-22)32(42)34-21(3)31(41)35-26(17-28(38)39)27(37)19-44-29(40)16-24-14-9-13-23-12-7-8-15-25(23)24/h4-15,20-21,26,30H,16-19H2,1-3H3,(H,34,42)(H,35,41)(H,36,43)(H,38,39)/t21-,26-,30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | 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)) | BDBM50325239
(CHEMBL1223112)Show SMILES COC(=O)C[C@H]1CCC[C@H]2CC(=O)N(OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)[C@@H]12 |r| Show InChI InChI=1S/C32H44N4O11/c1-18(2)28(35-32(44)46-16-20-9-6-5-7-10-20)31(43)33-19(3)30(42)34-23(15-26(39)40)24(37)17-47-36-25(38)13-21-11-8-12-22(29(21)36)14-27(41)45-4/h5-7,9-10,18-19,21-23,28-29H,8,11-17H2,1-4H3,(H,33,43)(H,34,42)(H,35,44)(H,39,40)/t19-,21-,22+,23-,28-,29+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | 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
(Homo sapiens (Human)) | BDBM12197
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27-,28-,31-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 11 | -47.3 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
Pfizer
| Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem 10: 31-40 (2002)
Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM12197
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27-,28-,31-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this Ligand-Target Pair | |
Caspase-1
(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-3
(Homo sapiens (Human)) | BDBM10320
((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BASF Bioresearch Corporation
Curated by ChEMBL
| Assay Description Evaluated for the dissociation constant for the inhibition of caspase-3 |
J Med Chem 43: 3351-71 (2000)
BindingDB Entry DOI: 10.7270/Q2416W98 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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-7
(Homo sapiens (Human)) | BDBM10320
((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BASF Bioresearch Corporation
Curated by ChEMBL
| Assay Description Evaluated for kinetic dissociation constant (kon) for the inhibition of caspase-7 |
J Med Chem 43: 3351-71 (2000)
BindingDB Entry DOI: 10.7270/Q2416W98 |
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)) | BDBM12066
((3S)-3-({2-[4-(butan-2-yl)-3-methylphenoxy]benzene...)Show SMILES CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C |r| Show InChI InChI=1S/C21H25NO6S/c1-4-14(2)18-10-9-17(11-15(18)3)28-19-7-5-6-8-20(19)29(26,27)22-16(13-23)12-21(24)25/h5-11,13-14,16,22H,4,12H2,1-3H3,(H,24,25)/t14?,16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | -41.6 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
Pfizer
| Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 11: 2779-82 (2001)
Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM12064
((3S)-3-({2-[3-methyl-4-(propan-2-yl)phenoxy]benzen...)Show SMILES CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C |r| Show InChI InChI=1S/C20H23NO6S/c1-13(2)17-9-8-16(10-14(17)3)27-18-6-4-5-7-19(18)28(25,26)21-15(12-22)11-20(23)24/h4-10,12-13,15,21H,11H2,1-3H3,(H,23,24)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | -41.3 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
Pfizer
| Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 11: 2779-82 (2001)
Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896 |
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)) | BDBM50325235
((5S,8S,11S)-5-isopropyl-8-methyl-3,6,9-trioxo-1-ph...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C31H41N3O7/c1-21(2)28(34-31(40)41-20-24-16-10-5-11-17-24)30(39)32-22(3)29(38)33-25(19-27(36)37)26(35)18-12-6-9-15-23-13-7-4-8-14-23/h4-5,7-8,10-11,13-14,16-17,21-22,25,28H,6,9,12,15,18-20H2,1-3H3,(H,32,39)(H,33,38)(H,34,40)(H,36,37)/t22-,25-,28-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50091584
(3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C29H30Cl2N4O8/c1-15(2)24(35-29(41)42-14-17-8-5-4-6-9-17)27(40)33-16(3)26(39)34-20(12-22(36)37)25(38)28-32-13-21(43-28)23-18(30)10-7-11-19(23)31/h4-11,13,15-16,20,24H,12,14H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t16-,20-,24-/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
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BASF Bioresearch Corporation
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibitory activity against caspase-1 |
J Med Chem 43: 3351-71 (2000)
BindingDB Entry DOI: 10.7270/Q2416W98 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50091587
(3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1ccccc1 Show InChI InChI=1S/C29H32N4O8/c1-17(2)24(33-29(39)40-16-19-10-6-4-7-11-19)27(38)31-18(3)26(37)32-21(14-23(34)35)25(36)28-30-15-22(41-28)20-12-8-5-9-13-20/h4-13,15,17-18,21,24H,14,16H2,1-3H3,(H,31,38)(H,32,37)(H,33,39)(H,34,35)/t18-,21-,24-/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
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BASF Bioresearch Corporation
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibitory activity against caspase-1 |
J Med Chem 43: 3351-71 (2000)
BindingDB Entry DOI: 10.7270/Q2416W98 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50091565
(3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1ccccc1Cl Show InChI InChI=1S/C29H31ClN4O8/c1-16(2)24(34-29(40)41-15-18-9-5-4-6-10-18)27(39)32-17(3)26(38)33-21(13-23(35)36)25(37)28-31-14-22(42-28)19-11-7-8-12-20(19)30/h4-12,14,16-17,21,24H,13,15H2,1-3H3,(H,32,39)(H,33,38)(H,34,40)(H,35,36)/t17-,21-,24-/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
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BASF Bioresearch Corporation
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibitory activity against caspase-1 |
J Med Chem 43: 3351-71 (2000)
BindingDB Entry DOI: 10.7270/Q2416W98 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM12070
((3S)-4-oxo-3-{[2-(4-phenylphenoxy)benzene]sulfonam...)Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)-c1ccccc1)C=O |r| Show InChI InChI=1S/C22H19NO6S/c24-15-18(14-22(25)26)23-30(27,28)21-9-5-4-8-20(21)29-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,15,18,23H,14H2,(H,25,26)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 290 | -38.8 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
Pfizer
| Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 11: 2779-82 (2001)
Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM12062
((3S)-4-oxo-3-({2-[3-(propan-2-yl)phenoxy]benzene}s...)Show SMILES CC(C)c1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1 |r| Show InChI InChI=1S/C19H21NO6S/c1-13(2)14-6-5-7-16(10-14)26-17-8-3-4-9-18(17)27(24,25)20-15(12-21)11-19(22)23/h3-10,12-13,15,20H,11H2,1-2H3,(H,22,23)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 410 | -37.9 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
Pfizer
| Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 11: 2779-82 (2001)
Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896 |
More data for this Ligand-Target Pair | |