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SMILES: COc1ccc2nc(NC(=O)c3cccc4CCN(Cc34)c3ccc(-c4cnn(Cc5ccccc5)c4)c(n3)C(O)=O)sc2c1

InChI Key: InChIKey=NPQULOMUJADAKF-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 = 209065   
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))
BDBM209065
PNG
(US9266877, 11)
Show SMILES COc1ccc2nc(NC(=O)c3cccc4CCN(Cc34)c3ccc(-c4cnn(Cc5ccccc5)c4)c(n3)C(O)=O)sc2c1
Show InChI InChI=1S/C34H28N6O4S/c1-44-24-10-12-28-29(16-24)45-34(36-28)38-32(41)26-9-5-8-22-14-15-39(20-27(22)26)30-13-11-25(31(37-30)33(42)43)23-17-35-40(19-23)18-21-6-3-2-4-7-21/h2-13,16-17,19H,14-15,18,20H2,1H3,(H,42,43)(H,36,38,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
180 -9.19n/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))
BDBM209065
PNG
(US9266877, 11)
Show SMILES COc1ccc2nc(NC(=O)c3cccc4CCN(Cc34)c3ccc(-c4cnn(Cc5ccccc5)c4)c(n3)C(O)=O)sc2c1
Show InChI InChI=1S/C34H28N6O4S/c1-44-24-10-12-28-29(16-24)45-34(36-28)38-32(41)26-9-5-8-22-14-15-39(20-27(22)26)30-13-11-25(31(37-30)33(42)43)23-17-35-40(19-23)18-21-6-3-2-4-7-21/h2-13,16-17,19H,14-15,18,20H2,1H3,(H,42,43)(H,36,38,41)
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