BDBM50266881 CHEMBL4094325

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

InChI Key: InChIKey=QZFQCRCJNWSXST-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 = 50266881   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
MDM2-MDMX (Homo sapiens (Human))	BDBM50266881 (CHEMBL4094325) Show SMILES CCN(CC)CCNC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(14.1,-21.32,;15.64,-21.32,;16.41,-22.65,;15.64,-23.99,;16.41,-25.32,;17.95,-22.65,;18.71,-21.32,;20.25,-21.32,;21.02,-19.99,;20.25,-18.65,;22.56,-19.99,;23.47,-21.23,;24.93,-20.76,;26.27,-21.53,;27.6,-20.76,;28.94,-21.53,;27.6,-19.22,;26.27,-18.45,;24.93,-19.22,;23.47,-18.74,;22.99,-17.27,;23.89,-16.02,;22.99,-14.78,;21.53,-15.25,;21.53,-16.79,;20.28,-17.71,;18.87,-17.08,;17.63,-17.98,;16.22,-17.36,;16.06,-15.82,;14.66,-15.2,;17.31,-14.92,;18.72,-15.54,;25.43,-16.02,;26.2,-14.69,;27.74,-14.69,;28.51,-16.02,;30.05,-16.02,;27.74,-17.36,;26.2,-17.36,)| Show InChI InChI=1S/C31H30Cl2FN5O/c1-3-38(4-2)16-15-35-31(40)29-27(25-14-11-23(33)17-26(25)37-29)30-28(21-7-12-24(34)13-8-21)36-19-39(30)18-20-5-9-22(32)10-6-20/h5-14,17,19,37H,3-4,15-16,18H2,1-2H3,(H,35,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	656	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50266881 (CHEMBL4094325) Show SMILES CCN(CC)CCNC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(14.1,-21.32,;15.64,-21.32,;16.41,-22.65,;15.64,-23.99,;16.41,-25.32,;17.95,-22.65,;18.71,-21.32,;20.25,-21.32,;21.02,-19.99,;20.25,-18.65,;22.56,-19.99,;23.47,-21.23,;24.93,-20.76,;26.27,-21.53,;27.6,-20.76,;28.94,-21.53,;27.6,-19.22,;26.27,-18.45,;24.93,-19.22,;23.47,-18.74,;22.99,-17.27,;23.89,-16.02,;22.99,-14.78,;21.53,-15.25,;21.53,-16.79,;20.28,-17.71,;18.87,-17.08,;17.63,-17.98,;16.22,-17.36,;16.06,-15.82,;14.66,-15.2,;17.31,-14.92,;18.72,-15.54,;25.43,-16.02,;26.2,-14.69,;27.74,-14.69,;28.51,-16.02,;30.05,-16.02,;27.74,-17.36,;26.2,-17.36,)| Show InChI InChI=1S/C31H30Cl2FN5O/c1-3-38(4-2)16-15-35-31(40)29-27(25-14-11-23(33)17-26(25)37-29)30-28(21-7-12-24(34)13-8-21)36-19-39(30)18-20-5-9-22(32)10-6-20/h5-14,17,19,37H,3-4,15-16,18H2,1-2H3,(H,35,40)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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