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SMILES: OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC4(CCC4)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1

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 = 552945   
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))
BDBM552945
PNG
((R)-4-(4-((6-(3-(difluoromethyl)bicyclo[1.1.1]pent...)
Show SMILES OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC4(CCC4)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:50|
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))
BDBM552945
PNG
((R)-4-(4-((6-(3-(difluoromethyl)bicyclo[1.1.1]pent...)
Show SMILES OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC4(CCC4)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:50|
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))
BDBM552945
PNG
((R)-4-(4-((6-(3-(difluoromethyl)bicyclo[1.1.1]pent...)
Show SMILES OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC4(CCC4)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:50|
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))
BDBM552945
PNG
((R)-4-(4-((6-(3-(difluoromethyl)bicyclo[1.1.1]pent...)
Show SMILES OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CC4(CCC4)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:50|
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