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BDBM354598 3-[2-(Dimethylamino)ethoxy]phenyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1,5-dimethyl-1H-pyrrol-2-yl}-7-[(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-1,2,3,4-tetrahydrisoquinoline-2-carboxylate::US9809574, Example 434

SMILES: C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1cccc(OCCN(C)C)c1

InChI Key: InChIKey=LDSCWSWQMLFRAU-GDLZYMKVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 354598   
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))
BDBM354598
PNG
(3-[2-(Dimethylamino)ethoxy]phenyl 6-{4-[(4-hydroxy...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1cccc(OCCN(C)C)c1
Show InChI InChI=1S/C45H49N5O6/c1-29-22-31-10-7-8-11-33(31)28-50(29)44(53)41-24-34-27-49(45(54)56-38-13-9-12-37(25-38)55-21-20-46(3)4)19-18-32(34)23-40(41)42-26-39(30(2)47(42)5)43(52)48(6)35-14-16-36(51)17-15-35/h7-17,23-26,29,51H,18-22,27-28H2,1-6H3/t29-/m1/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