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SMILES: CCN1CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(cc3)C(F)(F)F)CC2)CC1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50573282   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50573282
PNG
(CHEMBL4851332)
Show SMILES CCN1CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(cc3)C(F)(F)F)CC2)CC1 |t:48|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Bak derived peptide from Bcl-xL (unknown origin) measured after 15 mins by microplate reader assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116350
BindingDB Entry DOI: 10.7270/Q2R2155T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50573282
PNG
(CHEMBL4851332)
Show SMILES CCN1CCC(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(cc3)C(F)(F)F)CC2)CC1 |t:48|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Bak derived peptide from Bcl-2 (unknown origin) measured after 15 mins by microplate reader assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116350
BindingDB Entry DOI: 10.7270/Q2R2155T
More data for this
Ligand-Target Pair