BindingDB logo
myBDB logout

BDBM209205 US9266877, 151

SMILES: COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1

InChI Key: InChIKey=OIZAZUADGGNDRA-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 = 209205   
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)
BDBM209205
PNG
(US9266877, 151)
Show SMILES COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C38H42N6O5S/c1-25-29(22-39-44(25)24-38(49-21-20-48-2)17-7-3-4-8-18-38)27-14-15-33(41-34(27)36(46)47)43-19-16-26-10-9-11-28(30(26)23-43)35(45)42-37-40-31-12-5-6-13-32(31)50-37/h5-6,9-15,22H,3-4,7-8,16-21,23-24H2,1-2H3,(H,46,47)(H,40,42,45)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
<0.100n/an/an/an/an/an/an/an/a



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))
BDBM209205
PNG
(US9266877, 151)
Show SMILES COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C38H42N6O5S/c1-25-29(22-39-44(25)24-38(49-21-20-48-2)17-7-3-4-8-18-38)27-14-15-33(41-34(27)36(46)47)43-19-16-26-10-9-11-28(30(26)23-43)35(45)42-37-40-31-12-5-6-13-32(31)50-37/h5-6,9-15,22H,3-4,7-8,16-21,23-24H2,1-2H3,(H,46,47)(H,40,42,45)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 0.600n/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