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SMILES: CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2c(C)onc2-c2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO

InChI Key: InChIKey=CUKVCPXQZDATEX-UPHSDLEZSA-N

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 = 179563   
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))
BDBM179563
PNG
(US9126980, 8)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2c(C)onc2-c2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C40H46N6O5S/c1-5-7-20-44(21-8-6-2)40(49)35-22-27(3)46(41-35)36-19-18-32(43-52(50)38-28(4)51-42-37(38)29-14-10-9-11-15-29)24-34(36)39(48)45-25-31-17-13-12-16-30(31)23-33(45)26-47/h9-19,22,24,33,43,47H,5-8,20-21,23,25-26H2,1-4H3/t33-,52?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 664n/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))
BDBM179563
PNG
(US9126980, 8)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2c(C)onc2-c2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C40H46N6O5S/c1-5-7-20-44(21-8-6-2)40(49)35-22-27(3)46(41-35)36-19-18-32(43-52(50)38-28(4)51-42-37(38)29-14-10-9-11-15-29)24-34(36)39(48)45-25-31-17-13-12-16-30(31)23-33(45)26-47/h9-19,22,24,33,43,47H,5-8,20-21,23,25-26H2,1-4H3/t33-,52?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 836n/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