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SMILES: CN(C)c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1

InChI Key: InChIKey=QGGHHQCYXAURKG-UHFFFAOYSA-N

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 = 209088   
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))
BDBM209088
PNG
(US9266877, 34)
Show SMILES CN(C)c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
Show InChI InChI=1S/C35H31N7O3S/c1-40(2)25-9-5-7-22(17-25)19-42-20-24(18-36-42)26-13-14-31(38-32(26)34(44)45)41-16-15-23-8-6-10-27(28(23)21-41)33(43)39-35-37-29-11-3-4-12-30(29)46-35/h3-14,17-18,20H,15-16,19,21H2,1-2H3,(H,44,45)(H,37,39,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
23 -10.4n/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
Bcl-2-like protein 1


(Mus musculus (Mouse))
BDBM209088
PNG
(US9266877, 34)
Show SMILES CN(C)c1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
Show InChI InChI=1S/C35H31N7O3S/c1-40(2)25-9-5-7-22(17-25)19-42-20-24(18-36-42)26-13-14-31(38-32(26)34(44)45)41-16-15-23-8-6-10-27(28(23)21-41)33(43)39-35-37-29-11-3-4-12-30(29)46-35/h3-14,17-18,20H,15-16,19,21H2,1-2H3,(H,44,45)(H,37,39,43)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 907n/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