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SMILES: Cc1nn(CCN2CCOCC2)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c(-c12)c34

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 = 572155   
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
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572155
PNG
((rac)-4-chloro-3-ethyl-1-[2-(morpholin-4-yl)ethyl]...)
Show SMILES Cc1nn(CCN2CCOCC2)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c(-c12)c34
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.890n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Bcl-2-like protein 1 [1-212]/Bad BH3 Peptide


(Homo sapiens (Human))
BDBM572155
PNG
((rac)-4-chloro-3-ethyl-1-[2-(morpholin-4-yl)ethyl]...)
Show SMILES Cc1nn(CCN2CCOCC2)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c(-c12)c34
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2 [1-211]/Bad BH3 Peptide


(Homo sapiens (Human))
BDBM572155
PNG
((rac)-4-chloro-3-ethyl-1-[2-(morpholin-4-yl)ethyl]...)
Show SMILES Cc1nn(CCN2CCOCC2)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c(-c12)c34
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) wa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572155
PNG
((rac)-4-chloro-3-ethyl-1-[2-(morpholin-4-yl)ethyl]...)
Show SMILES Cc1nn(CCN2CCOCC2)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c(-c12)c34
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.470n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair