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BDBM178576 US9125913, 135

SMILES: CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)c1)-c1ccc(Cl)cc1

InChI Key: InChIKey=GNVIXAXXISLWSM-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 = 178576   
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


(Mus musculus (Mouse))
BDBM178576
PNG
(US9125913, 135)
Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C49H55ClN8O7S/c1-54(2)28-29-64-40-11-15-43(35-6-8-38(50)9-7-35)37(31-40)34-56-24-26-57(27-25-56)39-10-14-44(48(32-39)65-41-12-16-45-36(30-41)18-20-52-45)49(59)53-66(62,63)42-13-17-46(47(33-42)58(60)61)51-19-5-23-55-21-3-4-22-55/h6-18,20,30-33,51-52H,3-5,19,21-29,34H2,1-2H3,(H,53,59)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.00800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178576
PNG
(US9125913, 135)
Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C49H55ClN8O7S/c1-54(2)28-29-64-40-11-15-43(35-6-8-38(50)9-7-35)37(31-40)34-56-24-26-57(27-25-56)39-10-14-44(48(32-39)65-41-12-16-45-36(30-41)18-20-52-45)49(59)53-66(62,63)42-13-17-46(47(33-42)58(60)61)51-19-5-23-55-21-3-4-22-55/h6-18,20,30-33,51-52H,3-5,19,21-29,34H2,1-2H3,(H,53,59)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.24n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair