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BDBM353046 4-Methoxyphenyl 6-{1-[(4-hydroxyphenyl)(methyl)carbamoyl]-5,6,7,8-tetrahydroindolizin-3-yl}-7-[(3S)-3-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxylate::US9809574, Example 121

SMILES: COc1ccc(OC(=O)N2CCc3cc(-c4cc(C(=O)N(C)c5ccc(O)cc5)c5CCCCn45)c(cc3C2)C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)cc1

InChI Key: InChIKey=BZWQQNNNRFDPQG-QNGWXLTQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 353046   
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))
BDBM353046
PNG
(4-Methoxyphenyl 6-{1-[(4-hydroxyphenyl)(methyl)car...)
Show SMILES COc1ccc(OC(=O)N2CCc3cc(-c4cc(C(=O)N(C)c5ccc(O)cc5)c5CCCCn45)c(cc3C2)C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)cc1
Show InChI InChI=1S/C48H51N5O7/c1-49(36-10-12-38(54)13-11-36)46(55)43-28-45(52-19-6-5-9-44(43)52)41-26-33-18-20-51(48(57)60-40-16-14-39(58-2)15-17-40)29-35(33)27-42(41)47(56)53-30-34-8-4-3-7-32(34)25-37(53)31-50-21-23-59-24-22-50/h3-4,7-8,10-17,26-28,37,54H,5-6,9,18-25,29-31H2,1-2H3/t37-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.90n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair