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BDBM145122 US8952157, 313::US9303025, 313

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4NC(=O)Cc34)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=KPNZPABXJIYWBS-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 = 145122   
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))
BDBM145122
PNG
(US8952157, 313 | US9303025, 313)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4NC(=O)Cc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClFN5O9S/c1-45(2)15-14-31(37(27-45)30-6-8-32(47)9-7-30)28-51-18-20-52(21-19-51)33-10-12-35(42(24-33)62-40-5-3-4-38-36(40)26-43(54)49-38)44(55)50-63(58,59)34-11-13-41(39(25-34)53(56)57)61-29-46(48)16-22-60-23-17-46/h3-13,24-25H,14-23,26-29H2,1-2H3,(H,49,54)(H,50,55)
PDB

UniProtKB/SwissProt

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 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))
BDBM145122
PNG
(US8952157, 313 | US9303025, 313)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4NC(=O)Cc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClFN5O9S/c1-45(2)15-14-31(37(27-45)30-6-8-32(47)9-7-30)28-51-18-20-52(21-19-51)33-10-12-35(42(24-33)62-40-5-3-4-38-36(40)26-43(54)49-38)44(55)50-63(58,59)34-11-13-41(39(25-34)53(56)57)61-29-46(48)16-22-60-23-17-46/h3-13,24-25H,14-23,26-29H2,1-2H3,(H,49,54)(H,50,55)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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