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BDBM209198 US9266877, 144

SMILES: COCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1

InChI Key: InChIKey=GYJQPIDQQVZSBA-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 = 209198   
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))
BDBM209198
PNG
(US9266877, 144)
Show SMILES COCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show InChI InChI=1S/C36H38N6O4S/c1-23-27(19-37-42(23)21-36(22-46-2)16-6-3-7-17-36)25-13-14-31(39-32(25)34(44)45)41-18-15-24-9-8-10-26(28(24)20-41)33(43)40-35-38-29-11-4-5-12-30(29)47-35/h4-5,8-14,19H,3,6-7,15-18,20-22H2,1-2H3,(H,44,45)(H,38,40,43)
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))
BDBM209198
PNG
(US9266877, 144)
Show SMILES COCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show InChI InChI=1S/C36H38N6O4S/c1-23-27(19-37-42(23)21-36(22-46-2)16-6-3-7-17-36)25-13-14-31(39-32(25)34(44)45)41-18-15-24-9-8-10-26(28(24)20-41)33(43)40-35-38-29-11-4-5-12-30(29)47-35/h4-5,8-14,19H,3,6-7,15-18,20-22H2,1-2H3,(H,44,45)(H,38,40,43)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 213n/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