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BDBM353014 N-(4-Hydroxyphenyl)-N,1,2-trimethyl-5-{7-[(3S)-3-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-2-(2-phenylacetyl)-1,2,3,4-tetrahydroisoquinolin-6-yl}-1H-pyrrole-3-carboxamide::US9809574, Example 89

SMILES: CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1

InChI Key: InChIKey=BBRWQBVAKYNDCO-LHEWISCISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 353014   
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))
BDBM353014
PNG
(N-(4-Hydroxyphenyl)-N,1,2-trimethyl-5-{7-[(3S)-3-(...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C46H49N5O5/c1-31-40(45(54)48(3)37-13-15-39(52)16-14-37)27-43(47(31)2)41-25-34-17-18-50(44(53)23-32-9-5-4-6-10-32)28-36(34)26-42(41)46(55)51-29-35-12-8-7-11-33(35)24-38(51)30-49-19-21-56-22-20-49/h4-16,25-27,38,52H,17-24,28-30H2,1-3H3/t38-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.5n/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