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BDBM179601 US9126980, 46

SMILES: CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)Cc2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO

InChI Key: InChIKey=BOPALJRBVVDYGX-QKKQGVSQSA-N

Data: 2 IC50

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 = 179601   
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))
BDBM179601
PNG
(US9126980, 46)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)Cc2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C37H45N5O4S/c1-4-6-19-40(20-7-5-2)37(45)34-21-27(3)42(38-34)35-18-17-31(39-47(46)26-28-13-9-8-10-14-28)23-33(35)36(44)41-24-30-16-12-11-15-29(30)22-32(41)25-43/h8-18,21,23,32,39,43H,4-7,19-20,22,24-26H2,1-3H3/t32-,47?/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 475n/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))
BDBM179601
PNG
(US9126980, 46)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)Cc2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C37H45N5O4S/c1-4-6-19-40(20-7-5-2)37(45)34-21-27(3)42(38-34)35-18-17-31(39-47(46)26-28-13-9-8-10-14-28)23-33(35)36(44)41-24-30-16-12-11-15-29(30)22-32(41)25-43/h8-18,21,23,32,39,43H,4-7,19-20,22,24-26H2,1-3H3/t32-,47?/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 666n/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