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SMILES: OC(=O)c1nc(ccc1-c1cnn(c1)C1CCc2ccccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=PDMPXJMUNXTDJX-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 = 209091   
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))
BDBM209091
PNG
(US9266877, 37)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(c1)C1CCc2ccccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H28N6O3S/c42-33(39-35-37-28-10-3-4-11-30(28)45-35)26-9-5-7-22-16-17-40(20-27(22)26)31-15-13-25(32(38-31)34(43)44)23-18-36-41(19-23)29-14-12-21-6-1-2-8-24(21)29/h1-11,13,15,18-19,29H,12,14,16-17,20H2,(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
17 -10.6n/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
Bcl-2-like protein 1


(Mus musculus (Mouse))
BDBM209091
PNG
(US9266877, 37)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(c1)C1CCc2ccccc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H28N6O3S/c42-33(39-35-37-28-10-3-4-11-30(28)45-35)26-9-5-7-22-16-17-40(20-27(22)26)31-15-13-25(32(38-31)34(43)44)23-18-36-41(19-23)29-14-12-21-6-1-2-8-24(21)29/h1-11,13,15,18-19,29H,12,14,16-17,20H2,(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 347n/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