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BDBM50078153 CHEMBL3417693

SMILES: Cc1ccc(cc1)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O

InChI Key: InChIKey=KSYDLXJTLGBEDR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50078153   
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))
BDBM50078153
PNG
(CHEMBL3417693)
Show SMILES Cc1ccc(cc1)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O
Show InChI InChI=1S/C29H25NO3/c1-19-14-16-21(17-15-19)23-10-5-11-24-25(28(29(31)32)30-27(23)24)12-6-18-33-26-13-4-8-20-7-2-3-9-22(20)26/h2-5,7-11,13-17,30H,6,12,18H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078153
PNG
(CHEMBL3417693)
Show SMILES Cc1ccc(cc1)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O
Show InChI InChI=1S/C29H25NO3/c1-19-14-16-21(17-15-19)23-10-5-11-24-25(28(29(31)32)30-27(23)24)12-6-18-33-26-13-4-8-20-7-2-3-9-22(20)26/h2-5,7-11,13-17,30H,6,12,18H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.10E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 by fluorescence polarization assay in presence of 1% human serum


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