BindingDB logo
myBDB logout

null

SMILES: CC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=FTJLNNCJPJCARI-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 = 209059   
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))
BDBM209059
PNG
(US9266877, 5)
Show SMILES CC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H28N6O3S/c1-21(22-8-3-2-4-9-22)40-19-24(18-35-40)25-14-15-30(37-31(25)33(42)43)39-17-16-23-10-7-11-26(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h2-15,18-19,21H,16-17,20H2,1H3,(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
19 -10.5n/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))
BDBM209059
PNG
(US9266877, 5)
Show SMILES CC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H28N6O3S/c1-21(22-8-3-2-4-9-22)40-19-24(18-35-40)25-14-15-30(37-31(25)33(42)43)39-17-16-23-10-7-11-26(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h2-15,18-19,21H,16-17,20H2,1H3,(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 408n/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