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BDBM354589 Phenyl 6-{4-[butyl(4-hydroxyphenyl)carbamoyl]-1,5-dimethyl-1H-pyrrol-2-yl}-7-[(3S)-3-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxylate::US9809574, Example 187

SMILES: CCCCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1

InChI Key: InChIKey=GBAKEAGFDYWUPC-KDXMTYKHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 354589   
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))
BDBM354589
PNG
(Phenyl 6-{4-[butyl(4-hydroxyphenyl)carbamoyl]-1,5-...)
Show SMILES CCCCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C48H53N5O6/c1-4-5-20-52(38-15-17-40(54)18-16-38)46(55)42-29-45(49(3)33(42)2)43-27-35-19-21-51(48(57)59-41-13-7-6-8-14-41)30-37(35)28-44(43)47(56)53-31-36-12-10-9-11-34(36)26-39(53)32-50-22-24-58-25-23-50/h6-18,27-29,39,54H,4-5,19-26,30-32H2,1-3H3/t39-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3n/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