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SMILES: CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2sc3ccc(F)cc3c2C)cc1C(=O)N1Cc2ccccc2C[C@H]1CO

InChI Key: InChIKey=BTNVVUVWVYULJK-OSLLTFMVSA-N

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 = 179591   
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))
BDBM179591
PNG
(US9126980, 36)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2sc3ccc(F)cc3c2C)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C39H44FN5O4S2/c1-5-7-17-43(18-8-6-2)38(48)34-19-25(3)45(41-34)35-15-14-30(42-51(49)39-26(4)32-21-29(40)13-16-36(32)50-39)22-33(35)37(47)44-23-28-12-10-9-11-27(28)20-31(44)24-46/h9-16,19,21-22,31,42,46H,5-8,17-18,20,23-24H2,1-4H3/t31-,51?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 834n/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))
BDBM179591
PNG
(US9126980, 36)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2sc3ccc(F)cc3c2C)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C39H44FN5O4S2/c1-5-7-17-43(18-8-6-2)38(48)34-19-25(3)45(41-34)35-15-14-30(42-51(49)39-26(4)32-21-29(40)13-16-36(32)50-39)22-33(35)37(47)44-23-28-12-10-9-11-27(28)20-31(44)24-46/h9-16,19,21-22,31,42,46H,5-8,17-18,20,23-24H2,1-4H3/t31-,51?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.08E+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