BindingDB logo
myBDB logout

BDBM207976 N-Methyl-3,5-di(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one (1a)

SMILES: CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1

InChI Key: InChIKey=HHGSWONIEYVVCX-UHFFFAOYSA-N

Data: 2 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 207976   
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
Mdm2


(Homo sapiens (Human))
BDBM207976
PNG
(N-Methyl-3,5-di(4-chlorobenzyl)-4-(6-chloro-1H-ind...)
Show SMILES CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl3N2O2/c1-32-26(33)22(12-16-2-6-18(28)7-3-16)25(23-15-31-24-13-20(30)10-11-21(23)24)27(32,34)14-17-4-8-19(29)9-5-17/h2-11,13,15,31,34H,12,14H2,1H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 500n/an/an/an/an/a



Jagiellonian University



Assay Description
MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1−118 T47W; 500 nM) and inhibitors. T47W...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mdm2


(Homo sapiens (Human))
BDBM207976
PNG
(N-Methyl-3,5-di(4-chlorobenzyl)-4-(6-chloro-1H-ind...)
Show SMILES CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl3N2O2/c1-32-26(33)22(12-16-2-6-18(28)7-3-16)25(23-15-31-24-13-20(30)10-11-21(23)24)27(32,34)14-17-4-8-19(29)9-5-17/h2-11,13,15,31,34H,12,14H2,1H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a<1.00E+3n/an/an/an/an/a



Jagiellonian University



Assay Description
Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The fi...


ACS Chem Biol 11: 3310-3318 (2016)


Article DOI: 10.1021/acschembio.6b00596
BindingDB Entry DOI: 10.7270/Q2K35SH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)