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BDBM209160 US9266877, 106

SMILES: OC(=O)c1nc(ccc1-c1cccc(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=QLBWCJRXBWLAFR-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 = 209160   
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)
BDBM209160
PNG
(US9266877, 106)
Show SMILES OC(=O)c1nc(ccc1-c1cccc(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H28N4O3S/c41-34(39-36-37-30-14-4-5-15-31(30)44-36)28-13-7-11-25-18-19-40(22-29(25)28)32-17-16-27(33(38-32)35(42)43)26-12-6-10-24(21-26)20-23-8-2-1-3-9-23/h1-17,21H,18-20,22H2,(H,42,43)(H,37,39,41)
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))
BDBM209160
PNG
(US9266877, 106)
Show SMILES OC(=O)c1nc(ccc1-c1cccc(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H28N4O3S/c41-34(39-36-37-30-14-4-5-15-31(30)44-36)28-13-7-11-25-18-19-40(22-29(25)28)32-17-16-27(33(38-32)35(42)43)26-12-6-10-24(21-26)20-23-8-2-1-3-9-23/h1-17,21H,18-20,22H2,(H,42,43)(H,37,39,41)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 234n/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