new BindingDB logo
myBDB logout

BDBM145177 US8952157, 368::US9303025, 368

SMILES: Cn1c2c(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)cccc2[nH]c1=O

InChI Key: InChIKey=JICXSEGVVCOCLV-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 = 145177   
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


(Homo sapiens (Human))
BDBM145177
PNG
(US8952157, 368 | US9303025, 368)
Show SMILES Cn1c2c(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)cccc2[nH]c1=O |t:42|
Show InChI InChI=1S/C46H52ClN7O8S/c1-46(2)18-15-32(37(27-46)31-7-9-33(47)10-8-31)29-52-19-21-53(22-20-52)34-11-13-36(42(25-34)62-41-6-4-5-39-43(41)51(3)45(56)49-39)44(55)50-63(59,60)35-12-14-38(40(26-35)54(57)58)48-28-30-16-23-61-24-17-30/h4-14,25-26,30,48H,15-24,27-29H2,1-3H3,(H,49,56)(H,50,55)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0100<-15.0n/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 US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145177
PNG
(US8952157, 368 | US9303025, 368)
Show SMILES Cn1c2c(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)cccc2[nH]c1=O |t:42|
Show InChI InChI=1S/C46H52ClN7O8S/c1-46(2)18-15-32(37(27-46)31-7-9-33(47)10-8-31)29-52-19-21-53(22-20-52)34-11-13-36(42(25-34)62-41-6-4-5-39-43(41)51(3)45(56)49-39)44(55)50-63(59,60)35-12-14-38(40(26-35)54(57)58)48-28-30-16-23-61-24-17-30/h4-14,25-26,30,48H,15-24,27-29H2,1-3H3,(H,49,56)(H,50,55)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

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 US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair