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)) | BDBM50031604
(CHEMBL3359196)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(Br)c1 |r| Show InChI InChI=1S/C18H22BrFN2O5S/c1-27-11-12-5-4-8-22(12)28(25,26)13-9-14-16(15(19)10-13)21(7-3-2-6-20)18(24)17(14)23/h9-10,12H,2-8,11H2,1H3/t12-/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 | 6 | 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)) | BDBM50031604
(CHEMBL3359196)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(Br)c1 |r| Show InChI InChI=1S/C18H22BrFN2O5S/c1-27-11-12-5-4-8-22(12)28(25,26)13-9-14-16(15(19)10-13)21(7-3-2-6-20)18(24)17(14)23/h9-10,12H,2-8,11H2,1H3/t12-/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 | 32 | 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 | |