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SMILES: OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)C#N)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=YGDQXXYIDGSSFU-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 = 209078   
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))
BDBM209078
PNG
(US9266877, 24)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)C#N)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H25N7O3S/c35-16-21-5-3-6-22(15-21)18-41-19-24(17-36-41)25-11-12-30(38-31(25)33(43)44)40-14-13-23-7-4-8-26(27(23)20-40)32(42)39-34-37-28-9-1-2-10-29(28)45-34/h1-12,15,17,19H,13-14,18,20H2,(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
64 -9.81n/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))
BDBM209078
PNG
(US9266877, 24)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)C#N)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H25N7O3S/c35-16-21-5-3-6-22(15-21)18-41-19-24(17-36-41)25-11-12-30(38-31(25)33(43)44)40-14-13-23-7-4-8-26(27(23)20-40)32(42)39-34-37-28-9-1-2-10-29(28)45-34/h1-12,15,17,19H,13-14,18,20H2,(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>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