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BDBM179567 US9126980, 12

SMILES: CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cccc(Oc3ccc(C)cc3)c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO

InChI Key: InChIKey=OKDLZEMFACLDAO-XYMJDGAWSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 179567   
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))
BDBM179567
PNG
(US9126980, 12)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cccc(Oc3ccc(C)cc3)c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C43H49N5O5S/c1-5-7-22-46(23-8-6-2)43(51)40-24-31(4)48(44-40)41-21-18-34(26-39(41)42(50)47-28-33-13-10-9-12-32(33)25-35(47)29-49)45-54(52)38-15-11-14-37(27-38)53-36-19-16-30(3)17-20-36/h9-21,24,26-27,35,45,49H,5-8,22-23,25,28-29H2,1-4H3/t35-,54?/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.86E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179567
PNG
(US9126980, 12)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cccc(Oc3ccc(C)cc3)c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C43H49N5O5S/c1-5-7-22-46(23-8-6-2)43(51)40-24-31(4)48(44-40)41-21-18-34(26-39(41)42(50)47-28-33-13-10-9-12-32(33)25-35(47)29-49)45-54(52)38-15-11-14-37(27-38)53-36-19-16-30(3)17-20-36/h9-21,24,26-27,35,45,49H,5-8,22-23,25,28-29H2,1-4H3/t35-,54?/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.63E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair