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BDBM209185 US9266877, 131

SMILES: CC1CCC(CC1(Cn1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)N1CCCCC1)C#N

InChI Key: InChIKey=BGVDDTHECIVJIO-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 = 209185   
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)
BDBM209185
PNG
(US9266877, 131)
Show SMILES CC1CCC(CC1(Cn1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)N1CCCCC1)C#N
Show InChI InChI=1S/C41H43N7O3S/c1-27-12-13-28(23-42)22-41(27,48-18-5-2-6-19-48)26-46-20-16-30(24-46)31-14-15-36(44-37(31)39(50)51)47-21-17-29-8-7-9-32(33(29)25-47)38(49)45-40-43-34-10-3-4-11-35(34)52-40/h3-4,7-11,14-16,20,24,27-28H,2,5-6,12-13,17-19,21-22,25-26H2,1H3,(H,50,51)(H,43,45,49)
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))
BDBM209185
PNG
(US9266877, 131)
Show SMILES CC1CCC(CC1(Cn1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)N1CCCCC1)C#N
Show InChI InChI=1S/C41H43N7O3S/c1-27-12-13-28(23-42)22-41(27,48-18-5-2-6-19-48)26-46-20-16-30(24-46)31-14-15-36(44-37(31)39(50)51)47-21-17-29-8-7-9-32(33(29)25-47)38(49)45-40-43-34-10-3-4-11-35(34)52-40/h3-4,7-11,14-16,20,24,27-28H,2,5-6,12-13,17-19,21-22,25-26H2,1H3,(H,50,51)(H,43,45,49)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 9n/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