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BDBM178548 US9125913, 102

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=IIKYWYNMTFUCFU-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 178548   
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))
BDBM178548
PNG
(US9125913, 102)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H54ClN7O6S/c1-47(2)19-17-34(40(31-47)33-9-11-35(48)12-10-33)32-53-25-27-54(28-26-53)36-13-15-39(45(29-36)61-44-8-5-7-41-38(44)18-21-50-41)46(56)51-62(59,60)37-14-16-42(43(30-37)55(57)58)49-20-6-24-52-22-3-4-23-52/h5,7-16,18,21,29-30,49-50H,3-4,6,17,19-20,22-28,31-32H2,1-2H3,(H,51,56)
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PC sid
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Similars

US Patent
0.0350n/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))
BDBM178548
PNG
(US9125913, 102)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H54ClN7O6S/c1-47(2)19-17-34(40(31-47)33-9-11-35(48)12-10-33)32-53-25-27-54(28-26-53)36-13-15-39(45(29-36)61-44-8-5-7-41-38(44)18-21-50-41)46(56)51-62(59,60)37-14-16-42(43(30-37)55(57)58)49-20-6-24-52-22-3-4-23-52/h5,7-16,18,21,29-30,49-50H,3-4,6,17,19-20,22-28,31-32H2,1-2H3,(H,51,56)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
2.24n/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