new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-2' and Ligand = 'BDBM50355096'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Caspase-2


(Homo sapiens (Human))
BDBM50355096
PNG
(CHEMBL1835319)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]1CC(=O)OC1O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C32H45N5O10/c1-15(2)25(33-18(6)38)29(43)34-21(13-23(39)40)28(42)36-26(16(3)4)31(45)37-12-11-20(19-9-7-17(5)8-10-19)27(37)30(44)35-22-14-24(41)47-32(22)46/h7-10,15-16,20-22,25-27,32,46H,11-14H2,1-6H3,(H,33,38)(H,34,43)(H,35,44)(H,36,42)(H,39,40)/t20-,21+,22+,25+,26+,27+,32?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis


Bioorg Med Chem 19: 5833-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.020
BindingDB Entry DOI: 10.7270/Q20V8D6X
More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (Human))
BDBM50355096
PNG
(CHEMBL1835319)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]1CC(=O)OC1O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C32H45N5O10/c1-15(2)25(33-18(6)38)29(43)34-21(13-23(39)40)28(42)36-26(16(3)4)31(45)37-12-11-20(19-9-7-17(5)8-10-19)27(37)30(44)35-22-14-24(41)47-32(22)46/h7-10,15-16,20-22,25-27,32,46H,11-14H2,1-6H3,(H,33,38)(H,34,43)(H,35,44)(H,36,42)(H,39,40)/t20-,21+,22+,25+,26+,27+,32?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.50E+4n/an/an/an/an/an/a



CHDI Management, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...


Bioorg Med Chem 19: 5833-51 (2011)


Article DOI: 10.1016/j.bmc.2011.08.020
BindingDB Entry DOI: 10.7270/Q20V8D6X
More data for this
Ligand-Target Pair