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BDBM145201 US8952157, 392::US9303025, 392

SMILES: CC(C)N1CCC2(CC1)CCC(=C(CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c1)C2)c1ccc(Cl)cc1

InChI Key: InChIKey=DBJNPNXMMTWXRU-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 145201   
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))
BDBM145201
PNG
(US8952157, 392 | US9303025, 392)
Show SMILES CC(C)N1CCC2(CC1)CCC(=C(CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c1)C2)c1ccc(Cl)cc1 |t:12|
Show InChI InChI=1S/C48H58Cl2N8O7S/c1-32(2)56-17-15-48(16-18-56)14-11-40(34-3-5-36(49)6-4-34)35(28-48)31-55-19-21-57(22-20-55)37-7-9-41(45(25-37)65-38-26-42(50)46(51)53-30-38)47(59)54-66(62,63)39-8-10-43(44(27-39)58(60)61)52-29-33-12-23-64-24-13-33/h3-10,25-27,30,32-33,52H,11-24,28-29,31H2,1-2H3,(H2,51,53)(H,54,59)
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))
BDBM145201
PNG
(US8952157, 392 | US9303025, 392)
Show SMILES CC(C)N1CCC2(CC1)CCC(=C(CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c1)C2)c1ccc(Cl)cc1 |t:12|
Show InChI InChI=1S/C48H58Cl2N8O7S/c1-32(2)56-17-15-48(16-18-56)14-11-40(34-3-5-36(49)6-4-34)35(28-48)31-55-19-21-57(22-20-55)37-7-9-41(45(25-37)65-38-26-42(50)46(51)53-30-38)47(59)54-66(62,63)39-8-10-43(44(27-39)58(60)61)52-29-33-12-23-64-24-13-33/h3-10,25-27,30,32-33,52H,11-24,28-29,31H2,1-2H3,(H2,51,53)(H,54,59)
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