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BDBM209233 US9266877, 179

SMILES: CN(C(=O)C1(C)CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=JQPXGABBAARRLZ-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 = 209233   
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)
BDBM209233
PNG
(US9266877, 179)
Show SMILES CN(C(=O)C1(C)CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H39N5O4S/c1-24-26(12-10-15-31(24)43(3)37(48)39(2)20-7-4-8-21-39)27-17-18-33(41-34(27)36(46)47)44-22-19-25-11-9-13-28(29(25)23-44)35(45)42-38-40-30-14-5-6-16-32(30)49-38/h5-6,9-18H,4,7-8,19-23H2,1-3H3,(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))
BDBM209233
PNG
(US9266877, 179)
Show SMILES CN(C(=O)C1(C)CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H39N5O4S/c1-24-26(12-10-15-31(24)43(3)37(48)39(2)20-7-4-8-21-39)27-17-18-33(41-34(27)36(46)47)44-22-19-25-11-9-13-28(29(25)23-44)35(45)42-38-40-30-14-5-6-16-32(30)49-38/h5-6,9-18H,4,7-8,19-23H2,1-3H3,(H,46,47)(H,40,42,45)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 6n/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