BindingDB logo
myBDB logout

BDBM177897 US9120791, Example 127::US9603854, 127

SMILES: Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(CC(F)(F)F)CC2)n2CCCCc12)c1ccccc1

InChI Key: InChIKey=GGDYAYQRFBUOEF-UMSFTDKQSA-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 = 177897   
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))
BDBM177897
PNG
(US9120791, Example 127 | US9603854, 127)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(CC(F)(F)F)CC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C45H44F3N5O5/c46-45(47,48)28-50-20-18-49(19-21-50)27-34-22-30-8-4-5-9-31(30)26-52(34)43(55)37-25-42-41(57-29-58-42)24-36(37)40-23-38(39-12-6-7-17-51(39)40)44(56)53(32-10-2-1-3-11-32)33-13-15-35(54)16-14-33/h1-5,8-11,13-16,23-25,34,54H,6-7,12,17-22,26-29H2/t34-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 26n/an/an/an/an/an/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...


US Patent US9603854 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DMT
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM177897
PNG
(US9120791, Example 127 | US9603854, 127)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(CC(F)(F)F)CC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C45H44F3N5O5/c46-45(47,48)28-50-20-18-49(19-21-50)27-34-22-30-8-4-5-9-31(30)26-52(34)43(55)37-25-42-41(57-29-58-42)24-36(37)40-23-38(39-12-6-7-17-51(39)40)44(56)53(32-10-2-1-3-11-32)33-13-15-35(54)16-14-33/h1-5,8-11,13-16,23-25,34,54H,6-7,12,17-22,26-29H2/t34-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 26n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...


US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair