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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-2' and Ligand = 'BDBM50355106'   
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))
BDBM50355106
PNG
(CHEMBL1835402)
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)N1CCc2ccc(O)cc2C1C(=O)N[C@H]1CC(=O)OC1O |r|
Show InChI InChI=1S/C30H41N5O11/c1-13(2)23(31-15(5)36)27(42)32-19(11-21(38)39)26(41)34-24(14(3)4)29(44)35-9-8-16-6-7-17(37)10-18(16)25(35)28(43)33-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,37,45H,8-9,11-12H2,1-5H3,(H,31,36)(H,32,42)(H,33,43)(H,34,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/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 459n/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))
BDBM50355106
PNG
(CHEMBL1835402)
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)N1CCc2ccc(O)cc2C1C(=O)N[C@H]1CC(=O)OC1O |r|
Show InChI InChI=1S/C30H41N5O11/c1-13(2)23(31-15(5)36)27(42)32-19(11-21(38)39)26(41)34-24(14(3)4)29(44)35-9-8-16-6-7-17(37)10-18(16)25(35)28(43)33-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,37,45H,8-9,11-12H2,1-5H3,(H,31,36)(H,32,42)(H,33,43)(H,34,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/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 2.36E+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