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BDBM209201 US9266877, 147

SMILES: COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1

InChI Key: InChIKey=BYQVJPGCJWFEQC-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 209201   
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 (Human))
BDBM209201
PNG
(US9266877, 147)
Show SMILES COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C39H44N6O4S/c1-26-30(23-40-45(26)25-39(20-10-22-49-2)18-7-3-4-8-19-39)28-15-16-34(42-35(28)37(47)48)44-21-17-27-11-9-12-29(31(27)24-44)36(46)43-38-41-32-13-5-6-14-33(32)50-38/h5-6,9,11-16,23H,3-4,7-8,10,17-22,24-25H2,1-2H3,(H,47,48)(H,41,43,46)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100<-13.6n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM209201
PNG
(US9266877, 147)
Show SMILES COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C39H44N6O4S/c1-26-30(23-40-45(26)25-39(20-10-22-49-2)18-7-3-4-8-19-39)28-15-16-34(42-35(28)37(47)48)44-21-17-27-11-9-12-29(31(27)24-44)36(46)43-38-41-32-13-5-6-14-33(32)50-38/h5-6,9,11-16,23H,3-4,7-8,10,17-22,24-25H2,1-2H3,(H,47,48)(H,41,43,46)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair