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BDBM209175 US9266877, 121

SMILES: Cc1c(OC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=CGYKENUKXWMQSX-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 209175   
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)
BDBM209175
PNG
(US9266877, 121)
Show SMILES Cc1c(OC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H38N4O4S/c1-23-26(11-7-14-31(23)46-25-10-8-19-38(2,3)21-25)27-16-17-33(40-34(27)36(44)45)42-20-18-24-9-6-12-28(29(24)22-42)35(43)41-37-39-30-13-4-5-15-32(30)47-37/h4-7,9,11-17,25H,8,10,18-22H2,1-3H3,(H,44,45)(H,39,41,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.100n/an/an/an/an/an/an/an/a



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
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM209175
PNG
(US9266877, 121)
Show SMILES Cc1c(OC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H38N4O4S/c1-23-26(11-7-14-31(23)46-25-10-8-19-38(2,3)21-25)27-16-17-33(40-34(27)36(44)45)42-20-18-24-9-6-12-28(29(24)22-42)35(43)41-37-39-30-13-4-5-15-32(30)47-37/h4-7,9,11-17,25H,8,10,18-22H2,1-3H3,(H,44,45)(H,39,41,43)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 87n/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