BindingDB logo
myBDB logout

null

SMILES: Cc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1

InChI Key: InChIKey=WIPYJTKJNLKGHM-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 = 209067   
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))
BDBM209067
PNG
(US9266877, 13)
Show SMILES Cc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
Show InChI InChI=1S/C34H28N6O3S/c1-21-6-4-7-22(16-21)18-40-19-24(17-35-40)25-12-13-30(37-31(25)33(42)43)39-15-14-23-8-5-9-26(27(23)20-39)32(41)38-34-36-28-10-2-3-11-29(28)44-34/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
12 -10.8n/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))
BDBM209067
PNG
(US9266877, 13)
Show SMILES Cc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
Show InChI InChI=1S/C34H28N6O3S/c1-21-6-4-7-22(16-21)18-40-19-24(17-35-40)25-12-13-30(37-31(25)33(42)43)39-15-14-23-8-5-9-26(27(23)20-39)32(41)38-34-36-28-10-2-3-11-29(28)44-34/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 498n/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