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SMILES: FC(F)(F)c1scc(c1-c1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=SDMGOLWGSQRKKX-UHFFFAOYSA-N

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 = 185606   
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(Homo sapiens (Human))
BDBM185606
PNG
(US9156856, 16 | US9493431, 16)
Show SMILES FC(F)(F)c1scc(c1-c1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C35H29ClF3N3O3S2/c36-28-14-10-24(11-15-28)30-9-5-4-8-27(30)22-41-18-20-42(21-19-41)29-16-12-26(13-17-29)34(43)40-47(44,45)31-23-46-33(35(37,38)39)32(31)25-6-2-1-3-7-25/h1-17,23H,18-22H2,(H,40,43)
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
37.9 -10.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185606
PNG
(US9156856, 16 | US9493431, 16)
Show SMILES FC(F)(F)c1scc(c1-c1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C35H29ClF3N3O3S2/c36-28-14-10-24(11-15-28)30-9-5-4-8-27(30)22-41-18-20-42(21-19-41)29-16-12-26(13-17-29)34(43)40-47(44,45)31-23-46-33(35(37,38)39)32(31)25-6-2-1-3-7-25/h1-17,23H,18-22H2,(H,40,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
37.9 -10.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair