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BDBM209208 US9266877, 154

SMILES: Cc1c(cnn1CC1CCCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=CXLVLOGFZIAGJS-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 = 209208   
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)
BDBM209208
PNG
(US9266877, 154)
Show SMILES Cc1c(cnn1CC1CCCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C33H32N6O4S/c1-20-25(17-34-39(20)18-22-8-4-5-16-43-22)23-12-13-29(36-30(23)32(41)42)38-15-14-21-7-6-9-24(26(21)19-38)31(40)37-33-35-27-10-2-3-11-28(27)44-33/h2-3,6-7,9-13,17,22H,4-5,8,14-16,18-19H2,1H3,(H,41,42)(H,35,37,40)
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))
BDBM209208
PNG
(US9266877, 154)
Show SMILES Cc1c(cnn1CC1CCCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C33H32N6O4S/c1-20-25(17-34-39(20)18-22-8-4-5-16-43-22)23-12-13-29(36-30(23)32(41)42)38-15-14-21-7-6-9-24(26(21)19-38)31(40)37-33-35-27-10-2-3-11-28(27)44-33/h2-3,6-7,9-13,17,22H,4-5,8,14-16,18-19H2,1H3,(H,41,42)(H,35,37,40)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 15n/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