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BDBM50266878 CHEMBL4078749

SMILES: OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1

InChI Key: InChIKey=NWNGVZPSPZEVFZ-UHFFFAOYSA-N

Data: 2 KI

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 = 50266878   
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-MDMX


(Homo sapiens (Human))
BDBM50266878
PNG
(CHEMBL4078749)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(14.91,-19.06,;15.68,-20.39,;14.91,-21.72,;17.22,-20.39,;18.12,-21.64,;19.59,-21.16,;20.92,-21.93,;22.25,-21.16,;23.59,-21.93,;22.25,-19.62,;20.92,-18.85,;19.59,-19.62,;18.12,-19.15,;17.64,-17.68,;18.56,-16.44,;17.64,-15.19,;16.19,-15.67,;16.19,-17.21,;14.94,-18.11,;13.53,-17.48,;12.28,-18.39,;10.88,-17.77,;10.72,-16.23,;9.31,-15.61,;11.96,-15.33,;13.37,-15.96,;20.1,-16.44,;20.86,-17.78,;22.4,-17.78,;23.17,-16.44,;24.71,-16.44,;22.39,-15.1,;20.85,-15.11,)|
Show InChI InChI=1S/C25H16Cl2FN3O2/c26-16-5-1-14(2-6-16)12-31-13-29-22(15-3-8-18(28)9-4-15)24(31)21-19-10-7-17(27)11-20(19)30-23(21)25(32)33/h1-11,13,30H,12H2,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT...


J Med Chem 60: 4234-4244 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50266878
PNG
(CHEMBL4078749)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(14.91,-19.06,;15.68,-20.39,;14.91,-21.72,;17.22,-20.39,;18.12,-21.64,;19.59,-21.16,;20.92,-21.93,;22.25,-21.16,;23.59,-21.93,;22.25,-19.62,;20.92,-18.85,;19.59,-19.62,;18.12,-19.15,;17.64,-17.68,;18.56,-16.44,;17.64,-15.19,;16.19,-15.67,;16.19,-17.21,;14.94,-18.11,;13.53,-17.48,;12.28,-18.39,;10.88,-17.77,;10.72,-16.23,;9.31,-15.61,;11.96,-15.33,;13.37,-15.96,;20.1,-16.44,;20.86,-17.78,;22.4,-17.78,;23.17,-16.44,;24.71,-16.44,;22.39,-15.1,;20.85,-15.11,)|
Show InChI InChI=1S/C25H16Cl2FN3O2/c26-16-5-1-14(2-6-16)12-31-13-29-22(15-3-8-18(28)9-4-15)24(31)21-19-10-7-17(27)11-20(19)30-23(21)25(32)33/h1-11,13,30H,12H2,(H,32,33)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.15E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal MDMx (1 to 134 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT...


J Med Chem 60: 4234-4244 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00104
BindingDB Entry DOI: 10.7270/Q2BK1FT3
More data for this
Ligand-Target Pair