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SMILES: CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)CCO)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CCC(C)(C)C1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 552936   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552936
PNG
((R)-4-(4-((2-(3-Ethylbicyclo[1.1.1]pentan-1-yl)-4,...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)CCO)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CCC(C)(C)C1 |r,c:9|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))
BDBM552936
PNG
((R)-4-(4-((2-(3-Ethylbicyclo[1.1.1]pentan-1-yl)-4,...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)CCO)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CCC(C)(C)C1 |r,c:9|
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QR51BH
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552936
PNG
((R)-4-(4-((2-(3-Ethylbicyclo[1.1.1]pentan-1-yl)-4,...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)CCO)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CCC(C)(C)C1 |r,c:9|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QR51BH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552936
PNG
((R)-4-(4-((2-(3-Ethylbicyclo[1.1.1]pentan-1-yl)-4,...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)CCO)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CCC(C)(C)C1 |r,c:9|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bc...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair