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BDBM145180 US8952157, 371::US9303025, 371

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=YFEKEVMNLJYYCJ-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 = 145180   
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))
BDBM145180
PNG
(US8952157, 371 | US9303025, 371)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
Show InChI InChI=1S/C46H52Cl2F3N7O7S/c1-45(2)12-11-31(38(24-45)30-3-5-32(47)6-4-30)28-55-17-19-57(20-18-55)33-7-9-37(42(21-33)65-35-22-39(48)43(52)53-27-35)44(59)54-66(62,63)36-8-10-41(40(23-36)58(60)61)64-29-46(51)13-15-56(16-14-46)34(25-49)26-50/h3-10,21-23,27,34H,11-20,24-26,28-29H2,1-2H3,(H2,52,53)(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))
BDBM145180
PNG
(US8952157, 371 | US9303025, 371)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
Show InChI InChI=1S/C46H52Cl2F3N7O7S/c1-45(2)12-11-31(38(24-45)30-3-5-32(47)6-4-30)28-55-17-19-57(20-18-55)33-7-9-37(42(21-33)65-35-22-39(48)43(52)53-27-35)44(59)54-66(62,63)36-8-10-41(40(23-36)58(60)61)64-29-46(51)13-15-56(16-14-46)34(25-49)26-50/h3-10,21-23,27,34H,11-20,24-26,28-29H2,1-2H3,(H2,52,53)(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