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BDBM145007 US8952157, 193::US9303025, 193

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=GDHFADVVJHHUHV-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 145007   
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))
BDBM145007
PNG
(US8952157, 193 | US9303025, 193)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H57ClFN7O7S/c1-50(2)17-11-35(42(31-50)33-3-5-36(51)6-4-33)32-56-21-23-58(24-22-56)39-7-9-41(47(28-39)66-48-27-34-12-18-53-45(34)30-43(48)52)49(60)55-67(63,64)40-8-10-44(46(29-40)59(61)62)54-37-13-19-57(20-14-37)38-15-25-65-26-16-38/h3-10,12,18,27-30,37-38,53-54H,11,13-17,19-26,31-32H2,1-2H3,(H,55,60)
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Similars

US Patent
0.0640 -13.9n/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 US9303025 (2016)


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


(Homo sapiens (Human))
BDBM145007
PNG
(US8952157, 193 | US9303025, 193)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H57ClFN7O7S/c1-50(2)17-11-35(42(31-50)33-3-5-36(51)6-4-33)32-56-21-23-58(24-22-56)39-7-9-41(47(28-39)66-48-27-34-12-18-53-45(34)30-43(48)52)49(60)55-67(63,64)40-8-10-44(46(29-40)59(61)62)54-37-13-19-57(20-14-37)38-15-25-65-26-16-38/h3-10,12,18,27-30,37-38,53-54H,11,13-17,19-26,31-32H2,1-2H3,(H,55,60)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.0640 -13.9n/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 US8952157 (2015)


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