BDBM50266902 CHEMBL4104786

SMILES: OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)-c1ccc(F)cc1

InChI Key: InChIKey=PSGZJLOFBOICNP-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 = 50266902   

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))	BDBM50266902 (CHEMBL4104786) Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)-c1ccc(F)cc1 |(20.17,-21.62,;20.94,-20.3,;20.17,-18.95,;22.48,-20.3,;23.38,-21.55,;24.85,-21.05,;26.19,-21.82,;27.53,-21.05,;28.85,-21.82,;27.52,-19.51,;26.19,-18.74,;24.85,-19.52,;23.38,-19.04,;22.9,-17.58,;23.81,-16.34,;22.91,-15.09,;21.44,-15.57,;21.44,-17.11,;20.19,-18.02,;18.79,-17.39,;18.63,-15.87,;17.22,-15.24,;15.97,-16.14,;14.57,-15.52,;13.32,-16.43,;11.91,-15.8,;10.68,-16.71,;9.27,-16.09,;9.1,-14.55,;7.69,-13.93,;10.35,-13.64,;10.19,-12.11,;11.76,-14.27,;16.14,-17.68,;17.54,-18.3,;25.35,-16.34,;26.11,-17.68,;27.65,-17.68,;28.43,-16.35,;29.97,-16.35,;27.66,-15.02,;26.12,-15.01,)| Show InChI InChI=1S/C32H21Cl3FN3O3/c33-21-6-11-24-27(14-21)38-30(32(40)41)28(24)31-29(20-4-7-22(36)8-5-20)37-17-39(31)15-18-1-9-23(10-2-18)42-16-19-3-12-25(34)26(35)13-19/h1-14,17,38H,15-16H2,(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	322	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))	BDBM50266902 (CHEMBL4104786) Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)-c1ccc(F)cc1 |(20.17,-21.62,;20.94,-20.3,;20.17,-18.95,;22.48,-20.3,;23.38,-21.55,;24.85,-21.05,;26.19,-21.82,;27.53,-21.05,;28.85,-21.82,;27.52,-19.51,;26.19,-18.74,;24.85,-19.52,;23.38,-19.04,;22.9,-17.58,;23.81,-16.34,;22.91,-15.09,;21.44,-15.57,;21.44,-17.11,;20.19,-18.02,;18.79,-17.39,;18.63,-15.87,;17.22,-15.24,;15.97,-16.14,;14.57,-15.52,;13.32,-16.43,;11.91,-15.8,;10.68,-16.71,;9.27,-16.09,;9.1,-14.55,;7.69,-13.93,;10.35,-13.64,;10.19,-12.11,;11.76,-14.27,;16.14,-17.68,;17.54,-18.3,;25.35,-16.34,;26.11,-17.68,;27.65,-17.68,;28.43,-16.35,;29.97,-16.35,;27.66,-15.02,;26.12,-15.01,)| Show InChI InChI=1S/C32H21Cl3FN3O3/c33-21-6-11-24-27(14-21)38-30(32(40)41)28(24)31-29(20-4-7-22(36)8-5-20)37-17-39(31)15-18-1-9-23(10-2-18)42-16-19-3-12-25(34)26(35)13-19/h1-14,17,38H,15-16H2,(H,40,41)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.76E+3	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