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BDBM185626 US9156856, 39::US9493431, 39

SMILES: Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=HUHYNHPADAMVOD-UHFFFAOYSA-N

Data: 2 KI

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 = 185626   
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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185626
PNG
(US9156856, 39 | US9493431, 39)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C39H33Cl2N3O4S2/c1-26-35-23-30(41)15-18-37(35)49-39(26)50(46,47)42-38(45)34-17-16-31(24-36(34)48-32-8-3-2-4-9-32)44-21-19-43(20-22-44)25-28-7-5-6-10-33(28)27-11-13-29(40)14-12-27/h2-18,23-24H,19-22,25H2,1H3,(H,42,45)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
20.2 -10.5n/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))
BDBM185626
PNG
(US9156856, 39 | US9493431, 39)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C39H33Cl2N3O4S2/c1-26-35-23-30(41)15-18-37(35)49-39(26)50(46,47)42-38(45)34-17-16-31(24-36(34)48-32-8-3-2-4-9-32)44-21-19-43(20-22-44)25-28-7-5-6-10-33(28)27-11-13-29(40)14-12-27/h2-18,23-24H,19-22,25H2,1H3,(H,42,45)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
20.2 -10.5n/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