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SMILES: Cc1c(sc2ccc(F)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=CNGBDIVDKLOZHE-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 = 185607   
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))
BDBM185607
PNG
(US9156856, 17 | US9493431, 17)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H29ClFN3O3S2/c1-22-30-20-27(35)12-15-31(30)42-33(22)43(40,41)36-32(39)24-8-13-28(14-9-24)38-18-16-37(17-19-38)21-25-4-2-3-5-29(25)23-6-10-26(34)11-7-23/h2-15,20H,16-19,21H2,1H3,(H,36,39)
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
356 -8.79n/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))
BDBM185607
PNG
(US9156856, 17 | US9493431, 17)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H29ClFN3O3S2/c1-22-30-20-27(35)12-15-31(30)42-33(22)43(40,41)36-32(39)24-8-13-28(14-9-24)38-18-16-37(17-19-38)21-25-4-2-3-5-29(25)23-6-10-26(34)11-7-23/h2-15,20H,16-19,21H2,1H3,(H,36,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
356 -8.79n/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