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BDBM85273 BI-21C5

SMILES: Oc1ccccc1-c1cc(-c2ccc3OCOc3c2)c(C#N)c(=O)[nH]1

InChI Key: InChIKey=YYGAJCRLZTWLGE-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 Kd

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 = 85273   
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
Bcl-2-like protein 1


(Homo sapiens)
BDBM85273
PNG
(BI-21C5)
Show SMILES Oc1ccccc1-c1cc(-c2ccc3OCOc3c2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C19H12N2O4/c20-9-14-13(11-5-6-17-18(7-11)25-10-24-17)8-15(21-19(14)23)12-3-1-2-4-16(12)22/h1-8,22H,10H2,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10E+3n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL (unknown origin)


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM85273
PNG
(BI-21C5)
Show SMILES Oc1ccccc1-c1cc(-c2ccc3OCOc3c2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C19H12N2O4/c20-9-14-13(11-5-6-17-18(7-11)25-10-24-17)8-15(21-19(14)23)12-3-1-2-4-16(12)22/h1-8,22H,10H2,(H,21,23)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+3 1.98E+4n/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
In order to figure whether these compounds were capable of displacing the interactions between Bci-XL and it's pro-apoptotic counterparts, it was...


Bioorg Chem 35: 344-53 (2007)


Article DOI: 10.1016/j.bioorg.2007.03.001
BindingDB Entry DOI: 10.7270/Q2HT2MWD
More data for this
Ligand-Target Pair