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BDBM50078166 CHEMBL3417580

SMILES: OC(=O)c1[nH]c2ccccc2c1CCCCC1CCCCC1

InChI Key: InChIKey=ZEUXTNXHBYCGIB-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50078166   
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


(Homo sapiens (Human))
BDBM50078166
PNG
(CHEMBL3417580)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCCC1CCCCC1
Show InChI InChI=1S/C19H25NO2/c21-19(22)18-16(15-11-6-7-13-17(15)20-18)12-5-4-10-14-8-2-1-3-9-14/h6-7,11,13-14,20H,1-5,8-10,12H2,(H,21,22)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled NOXA peptide from recombinant MCL1 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50078166
PNG
(CHEMBL3417580)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCCC1CCCCC1
Show InChI InChI=1S/C19H25NO2/c21-19(22)18-16(15-11-6-7-13-17(15)20-18)12-5-4-10-14-8-2-1-3-9-14/h6-7,11,13-14,20H,1-5,8-10,12H2,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-2 (unknown origin) by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50078166
PNG
(CHEMBL3417580)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCCC1CCCCC1
Show InChI InChI=1S/C19H25NO2/c21-19(22)18-16(15-11-6-7-13-17(15)20-18)12-5-4-10-14-8-2-1-3-9-14/h6-7,11,13-14,20H,1-5,8-10,12H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair