Found 2 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 |
|---|
Caspase-7
(Homo sapiens (Human)) | BDBM50031593
(CHEMBL3359185)Show SMILES CCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C17H21IN2O5S/c1-3-6-19-15-13(16(21)17(19)22)8-12(9-14(15)18)26(23,24)20-7-4-5-11(20)10-25-2/h8-9,11H,3-7,10H2,1-2H3/t11-/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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product |
J Med Chem 57: 9383-95 (2014)
Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50031593
(CHEMBL3359185)Show SMILES CCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C17H21IN2O5S/c1-3-6-19-15-13(16(21)17(19)22)8-12(9-14(15)18)26(23,24)20-7-4-5-11(20)10-25-2/h8-9,11H,3-7,10H2,1-2H3/t11-/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 | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product |
J Med Chem 57: 9383-95 (2014)
Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM |
More data for this
Ligand-Target Pair | |