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SMILES: CN(C)CCCNc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=ANBATUXVXUJTND-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 = 185623   
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))
BDBM185623
PNG
(US9156856, 34 | US9493431, 34)
Show SMILES CN(C)CCCNc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:46|
Show InChI InChI=1S/C43H50ClN7O6S2/c1-43(2)16-14-31(36(27-43)29-6-8-32(44)9-7-29)28-49-20-22-50(23-21-49)33-10-12-35(39(25-33)57-34-11-13-37-30(24-34)15-18-45-37)41(52)47-59(55,56)40-26-38(51(53)54)42(58-40)46-17-5-19-48(3)4/h6-13,15,18,24-26,45-46H,5,14,16-17,19-23,27-28H2,1-4H3,(H,47,52)
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.79 -11.9n/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))
BDBM185623
PNG
(US9156856, 34 | US9493431, 34)
Show SMILES CN(C)CCCNc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:46|
Show InChI InChI=1S/C43H50ClN7O6S2/c1-43(2)16-14-31(36(27-43)29-6-8-32(44)9-7-29)28-49-20-22-50(23-21-49)33-10-12-35(39(25-33)57-34-11-13-37-30(24-34)15-18-45-37)41(52)47-59(55,56)40-26-38(51(53)54)42(58-40)46-17-5-19-48(3)4/h6-13,15,18,24-26,45-46H,5,14,16-17,19-23,27-28H2,1-4H3,(H,47,52)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
1.79 -11.9n/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