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SMILES: OC(=O)c1nc(ccc1-c1cnn(Cc2cc(F)cc(F)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=XDCXMFFOTDHZLV-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 209107   
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))
BDBM209107
PNG
(US9266877, 53)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2cc(F)cc(F)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C33H24F2N6O3S/c34-22-12-19(13-23(35)14-22)16-41-17-21(15-36-41)24-8-9-29(38-30(24)32(43)44)40-11-10-20-4-3-5-25(26(20)18-40)31(42)39-33-37-27-6-1-2-7-28(27)45-33/h1-9,12-15,17H,10-11,16,18H2,(H,43,44)(H,37,39,42)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
14 -10.7n/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))
BDBM209107
PNG
(US9266877, 53)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2cc(F)cc(F)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C33H24F2N6O3S/c34-22-12-19(13-23(35)14-22)16-41-17-21(15-36-41)24-8-9-29(38-30(24)32(43)44)40-11-10-20-4-3-5-25(26(20)18-40)31(42)39-33-37-27-6-1-2-7-28(27)45-33/h1-9,12-15,17H,10-11,16,18H2,(H,43,44)(H,37,39,42)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 387n/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