Found 5 hits in this display 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 |
|---|
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM36363
(CID6851947 | PAC-1 | US10166229, Example PAC-1)Show SMILES Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Scienze e Tecnologie Molecolari (ISTM)
Curated by ChEMBL
| Assay Description
Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells afte... |
Bioorg Med Chem Lett 26: 4613-4619 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.065
BindingDB Entry DOI: 10.7270/Q2BV7M5P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM36363
(CID6851947 | PAC-1 | US10166229, Example PAC-1)Show SMILES Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.50E+3 | n/a | n/a | 7.4 | 37 |
University of Illinois
| Assay Description
Procaspase-7 activation assay; activation of procaspase-7 to caspase-7. |
Nat Chem Biol 2: 543-50 (2006)
Article DOI: 10.1038/nchembio814
BindingDB Entry DOI: 10.7270/Q25M6426 |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM36363
(CID6851947 | PAC-1 | US10166229, Example PAC-1)Show SMILES Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
The Board of Trustees of the University of Illinois
US Patent
| Assay Description
Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a... |
US Patent US10166229 (2019)
BindingDB Entry DOI: 10.7270/Q24M96M1 |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM36363
(CID6851947 | PAC-1 | US10166229, Example PAC-1)Show SMILES Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 220 | n/a | n/a | 7.4 | 37 |
University of Illinois
| Assay Description
Procaspase-3 activation assay; activation of procaspase-3 to caspase-3. |
Nat Chem Biol 2: 543-50 (2006)
Article DOI: 10.1038/nchembio814
BindingDB Entry DOI: 10.7270/Q25M6426 |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM36363
(CID6851947 | PAC-1 | US10166229, Example PAC-1)Show SMILES Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.08E+3 | n/a | n/a | n/a | n/a |
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) Ministry of Education
Curated by ChEMBL
| Assay Description
Induction of procaspase 3 activity (unknown origin) using Ac-DEVD-pNa as substrate after 2 hrs |
Eur J Med Chem 86: 257-69 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.058
BindingDB Entry DOI: 10.7270/Q2ZC84N9 |
More data for this
Ligand-Target Pair | |