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SMILES: CCc1c-2c(nn1C)C(CCN1CCOCC1)N(C)CCCCn1c(C(O)=O)c(CCCOc3cccc4ccccc34)c3ccc(Cl)c-2c13

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 2 hits for monomerid = 571534   
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))
BDBM571534
PNG
((rac)-4-chloro-3-ethyl-2,14-dimethyl-(15-rac)-[2-(...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)N(C)CCCCn1c(C(O)=O)c(CCCOc3cccc4ccccc34)c3ccc(Cl)c-2c13
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/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/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571534
PNG
((rac)-4-chloro-3-ethyl-2,14-dimethyl-(15-rac)-[2-(...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)N(C)CCCCn1c(C(O)=O)c(CCCOc3cccc4ccccc34)c3ccc(Cl)c-2c13
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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/Q2J38WT5
More data for this
Ligand-Target Pair