BDBM50229787 (4S,5R)-Nutlin-3::(rac)-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl)(piperazin-1-yl)methanone::4-((4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one::4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one::4-[(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one::CHEMBL191334::NUTLIN-3::Nutlin-3a::rac-4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one

SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1

InChI Key InChIKey=BDUHCSBCVGXTJM-WUFINQPMSA-N

Data  15 KI  25 IC50  3 Kd

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50229787   

TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Dalian University Of Technology

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Dalian University Of Technology

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Affinity DataKd:  1.50E+4nMAssay Description:Binding affinity to 15N-labeled Bcl-2 (unknown origin) by 2D 1H-15N HSQC NMR spectroscopic methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed