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BDBM209192 US9266877, 138

SMILES: Cc1c(OC2CCCCC2)nccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=FAMBFQFMBAKJJE-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 = 209192   
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))
BDBM209192
PNG
(US9266877, 138)
Show SMILES Cc1c(OC2CCCCC2)nccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H33N5O4S/c1-21-24(16-18-36-33(21)44-23-9-3-2-4-10-23)25-14-15-30(38-31(25)34(42)43)40-19-17-22-8-7-11-26(27(22)20-40)32(41)39-35-37-28-12-5-6-13-29(28)45-35/h5-8,11-16,18,23H,2-4,9-10,17,19-20H2,1H3,(H,42,43)(H,37,39,41)
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))
BDBM209192
PNG
(US9266877, 138)
Show SMILES Cc1c(OC2CCCCC2)nccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H33N5O4S/c1-21-24(16-18-36-33(21)44-23-9-3-2-4-10-23)25-14-15-30(38-31(25)34(42)43)40-19-17-22-8-7-11-26(27(22)20-40)32(41)39-35-37-28-12-5-6-13-29(28)45-35/h5-8,11-16,18,23H,2-4,9-10,17,19-20H2,1H3,(H,42,43)(H,37,39,41)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/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