Found 10 hits with Last Name = 'dodson' and Initial = 'h' 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)) | BDBM50200932
((3S)-3-[(2S)-6-(6-{5-[(3aS,6aR)-2-oxo-hexahydro-1H...)Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C49H67N7O14S/c1-30-14-13-15-31(2)43(30)47(66)69-28-37(57)35(26-42(62)63)53-45(64)33(52-46(65)34(22-23-41(60)61)55-49(68)70-27-32-16-5-3-6-17-32)18-10-12-25-51-39(58)20-7-4-11-24-50-40(59)21-9-8-19-38-44-36(29-71-38)54-48(67)56-44/h3,5-6,13-17,33-36,38,44H,4,7-12,18-29H2,1-2H3,(H,50,59)(H,51,58)(H,52,65)(H,53,64)(H,55,68)(H,60,61)(H,62,63)(H2,54,56,67)/t33-,34-,35-,36-,38?,44-/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
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of human caspase 1 |
J Med Chem 49: 7636-45 (2006)
Article DOI: 10.1021/jm060385h
BindingDB Entry DOI: 10.7270/Q2319VJT |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50200932
((3S)-3-[(2S)-6-(6-{5-[(3aS,6aR)-2-oxo-hexahydro-1H...)Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C49H67N7O14S/c1-30-14-13-15-31(2)43(30)47(66)69-28-37(57)35(26-42(62)63)53-45(64)33(52-46(65)34(22-23-41(60)61)55-49(68)70-27-32-16-5-3-6-17-32)18-10-12-25-51-39(58)20-7-4-11-24-50-40(59)21-9-8-19-38-44-36(29-71-38)54-48(67)56-44/h3,5-6,13-17,33-36,38,44H,4,7-12,18-29H2,1-2H3,(H,50,59)(H,51,58)(H,52,65)(H,53,64)(H,55,68)(H,60,61)(H,62,63)(H2,54,56,67)/t33-,34-,35-,36-,38?,44-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of human caspase 8 |
J Med Chem 49: 7636-45 (2006)
Article DOI: 10.1021/jm060385h
BindingDB Entry DOI: 10.7270/Q2319VJT |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50200932
((3S)-3-[(2S)-6-(6-{5-[(3aS,6aR)-2-oxo-hexahydro-1H...)Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C49H67N7O14S/c1-30-14-13-15-31(2)43(30)47(66)69-28-37(57)35(26-42(62)63)53-45(64)33(52-46(65)34(22-23-41(60)61)55-49(68)70-27-32-16-5-3-6-17-32)18-10-12-25-51-39(58)20-7-4-11-24-50-40(59)21-9-8-19-38-44-36(29-71-38)54-48(67)56-44/h3,5-6,13-17,33-36,38,44H,4,7-12,18-29H2,1-2H3,(H,50,59)(H,51,58)(H,52,65)(H,53,64)(H,55,68)(H,60,61)(H,62,63)(H2,54,56,67)/t33-,34-,35-,36-,38?,44-/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
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of human caspase 3 |
J Med Chem 49: 7636-45 (2006)
Article DOI: 10.1021/jm060385h
BindingDB Entry DOI: 10.7270/Q2319VJT |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50200934
(2,6-dimethyl-benzoic acid (S)-3-[(S)-2-((S)-2-benz...)Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C39H44N6O15/c1-23-9-8-10-24(2)35(23)38(53)59-22-32(46)30(20-34(49)50)42-36(51)28(13-6-7-18-40-27-15-14-26(44(55)56)19-31(27)45(57)58)41-37(52)29(16-17-33(47)48)43-39(54)60-21-25-11-4-3-5-12-25/h3-5,8-12,14-15,19,28-30,40H,6-7,13,16-18,20-22H2,1-2H3,(H,41,52)(H,42,51)(H,43,54)(H,47,48)(H,49,50)/t28-,29-,30-/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
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of human caspase 3 |
J Med Chem 49: 7636-45 (2006)
Article DOI: 10.1021/jm060385h
BindingDB Entry DOI: 10.7270/Q2319VJT |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50200935
((3S)-3-[(2S)-6-[6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahy...)Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C55H78N8O15S/c1-35-17-16-18-36(2)49(35)53(74)77-33-42(64)40(31-48(70)71)60-51(72)38(59-52(73)39(26-27-47(68)69)62-55(76)78-32-37-19-6-3-7-20-37)21-12-15-30-58-45(66)24-9-5-13-28-56-44(65)23-8-4-14-29-57-46(67)25-11-10-22-43-50-41(34-79-43)61-54(75)63-50/h3,6-7,16-20,38-41,43,50H,4-5,8-15,21-34H2,1-2H3,(H,56,65)(H,57,67)(H,58,66)(H,59,73)(H,60,72)(H,62,76)(H,68,69)(H,70,71)(H2,61,63,75)/t38-,39-,40-,41-,43-,50-/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
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of human caspase 3 |
J Med Chem 49: 7636-45 (2006)
Article DOI: 10.1021/jm060385h
BindingDB Entry DOI: 10.7270/Q2319VJT |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50200932
((3S)-3-[(2S)-6-(6-{5-[(3aS,6aR)-2-oxo-hexahydro-1H...)Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C49H67N7O14S/c1-30-14-13-15-31(2)43(30)47(66)69-28-37(57)35(26-42(62)63)53-45(64)33(52-46(65)34(22-23-41(60)61)55-49(68)70-27-32-16-5-3-6-17-32)18-10-12-25-51-39(58)20-7-4-11-24-50-40(59)21-9-8-19-38-44-36(29-71-38)54-48(67)56-44/h3,5-6,13-17,33-36,38,44H,4,7-12,18-29H2,1-2H3,(H,50,59)(H,51,58)(H,52,65)(H,53,64)(H,55,68)(H,60,61)(H,62,63)(H2,54,56,67)/t33-,34-,35-,36-,38?,44-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of human caspase 7 |
J Med Chem 49: 7636-45 (2006)
Article DOI: 10.1021/jm060385h
BindingDB Entry DOI: 10.7270/Q2319VJT |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50200933
(2,6-dimethyl-benzoic acid (S)-3-{(S)-2-((S)-2-benz...)Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C43H56N6O13S/c1-25-11-10-12-26(2)37(25)41(58)61-23-32(50)30(21-36(54)55)46-39(56)28(45-40(57)29(18-19-35(52)53)48-43(60)62-22-27-13-4-3-5-14-27)15-8-9-20-44-34(51)17-7-6-16-33-38-31(24-63-33)47-42(59)49-38/h3-5,10-14,28-31,33,38H,6-9,15-24H2,1-2H3,(H,44,51)(H,45,57)(H,46,56)(H,48,60)(H,52,53)(H,54,55)(H2,47,49,59)/t28-,29-,30-,31-,33-,38-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of human caspase 3 |
J Med Chem 49: 7636-45 (2006)
Article DOI: 10.1021/jm060385h
BindingDB Entry DOI: 10.7270/Q2319VJT |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50200931
(2,6-dimethyl-benzoic acid (S)-3-{(S)-2-((S)-2-benz...)Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)C(=N)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C43H55N7O13S/c1-24-10-8-11-25(2)36(24)41(59)62-22-32(51)30(20-35(54)55)47-39(57)28(46-40(58)29(17-18-34(52)53)49-43(61)63-21-26-12-4-3-5-13-26)15-6-7-19-45-38(56)27(44)14-9-16-33-37-31(23-64-33)48-42(60)50-37/h3-5,8,10-13,28-31,33,37,44H,6-7,9,14-23H2,1-2H3,(H,45,56)(H,46,58)(H,47,57)(H,49,61)(H,52,53)(H,54,55)(H2,48,50,60)/t28-,29-,30-,31-,33-,37-/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
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of human caspase 3 |
J Med Chem 49: 7636-45 (2006)
Article DOI: 10.1021/jm060385h
BindingDB Entry DOI: 10.7270/Q2319VJT |
More data for this
Ligand-Target Pair | |
Caspase-2
(Homo sapiens (Human)) | BDBM50200932
((3S)-3-[(2S)-6-(6-{5-[(3aS,6aR)-2-oxo-hexahydro-1H...)Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C49H67N7O14S/c1-30-14-13-15-31(2)43(30)47(66)69-28-37(57)35(26-42(62)63)53-45(64)33(52-46(65)34(22-23-41(60)61)55-49(68)70-27-32-16-5-3-6-17-32)18-10-12-25-51-39(58)20-7-4-11-24-50-40(59)21-9-8-19-38-44-36(29-71-38)54-48(67)56-44/h3,5-6,13-17,33-36,38,44H,4,7-12,18-29H2,1-2H3,(H,50,59)(H,51,58)(H,52,65)(H,53,64)(H,55,68)(H,60,61)(H,62,63)(H2,54,56,67)/t33-,34-,35-,36-,38?,44-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of human caspase 2 |
J Med Chem 49: 7636-45 (2006)
Article DOI: 10.1021/jm060385h
BindingDB Entry DOI: 10.7270/Q2319VJT |
More data for this
Ligand-Target Pair | |
Caspase-6
(Homo sapiens (Human)) | BDBM50200932
((3S)-3-[(2S)-6-(6-{5-[(3aS,6aR)-2-oxo-hexahydro-1H...)Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C49H67N7O14S/c1-30-14-13-15-31(2)43(30)47(66)69-28-37(57)35(26-42(62)63)53-45(64)33(52-46(65)34(22-23-41(60)61)55-49(68)70-27-32-16-5-3-6-17-32)18-10-12-25-51-39(58)20-7-4-11-24-50-40(59)21-9-8-19-38-44-36(29-71-38)54-48(67)56-44/h3,5-6,13-17,33-36,38,44H,4,7-12,18-29H2,1-2H3,(H,50,59)(H,51,58)(H,52,65)(H,53,64)(H,55,68)(H,60,61)(H,62,63)(H2,54,56,67)/t33-,34-,35-,36-,38?,44-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of human caspase 6 |
J Med Chem 49: 7636-45 (2006)
Article DOI: 10.1021/jm060385h
BindingDB Entry DOI: 10.7270/Q2319VJT |
More data for this
Ligand-Target Pair | |
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