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BDBM209229 US9266877, 175

SMILES: Cc1c(cnn1CC1(CCCCCC1)OCC(O)CO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=HCPOGQMRHPKHMP-UHFFFAOYNA-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 = 209229   
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))
BDBM209229
PNG
(US9266877, 175)
Show SMILES Cc1c(cnn1CC1(CCCCCC1)OCC(O)CO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C38H42N6O6S/c1-24-29(19-39-44(24)23-38(50-22-26(46)21-45)16-6-2-3-7-17-38)27-13-14-33(41-34(27)36(48)49)43-18-15-25-9-8-10-28(30(25)20-43)35(47)42-37-40-31-11-4-5-12-32(31)51-37/h4-5,8-14,19,26,45-46H,2-3,6-7,15-18,20-23H2,1H3,(H,48,49)(H,40,42,47)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100<-13.6n/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
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM209229
PNG
(US9266877, 175)
Show SMILES Cc1c(cnn1CC1(CCCCCC1)OCC(O)CO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C38H42N6O6S/c1-24-29(19-39-44(24)23-38(50-22-26(46)21-45)16-6-2-3-7-17-38)27-13-14-33(41-34(27)36(48)49)43-18-15-25-9-8-10-28(30(25)20-43)35(47)42-37-40-31-11-4-5-12-32(31)51-37/h4-5,8-14,19,26,45-46H,2-3,6-7,15-18,20-23H2,1H3,(H,48,49)(H,40,42,47)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 33n/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