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BDBM189686 US10213433, Compound 256::US9174982, 256

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CN(C4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=DHEHLTGGZQAKJX-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 = 189686   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189686
PNG
(US10213433, Compound 256 | US9174982, 256)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CN(C4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49ClN8O7S/c1-45(2)13-11-31(39(22-45)29-3-5-32(46)6-4-29)24-51-15-17-52(18-16-51)34-7-9-38(42(20-34)61-36-19-30-12-14-47-43(30)48-23-36)44(55)50-62(58,59)37-8-10-40(41(21-37)54(56)57)49-33-25-53(26-33)35-27-60-28-35/h3-10,12,14,19-21,23,33,35,49H,11,13,15-18,22,24-28H2,1-2H3,(H,47,48)(H,50,55)
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Similars

US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189686
PNG
(US10213433, Compound 256 | US9174982, 256)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CN(C4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49ClN8O7S/c1-45(2)13-11-31(39(22-45)29-3-5-32(46)6-4-29)24-51-15-17-52(18-16-51)34-7-9-38(42(20-34)61-36-19-30-12-14-47-43(30)48-23-36)44(55)50-62(58,59)37-8-10-40(41(21-37)54(56)57)49-33-25-53(26-33)35-27-60-28-35/h3-10,12,14,19-21,23,33,35,49H,11,13,15-18,22,24-28H2,1-2H3,(H,47,48)(H,50,55)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair