BDBM161882 US9051279, 52

SMILES: CCN[C@H]1CC[C@H](CN(C)c2ccc(cc2)N2C(c3ccc(Cl)cc3)c3cc(O[C@H](C)CC)c(OC)cc3CC2=O)CC1

InChI Key: InChIKey=NHJBFVAZLNVPEB-GYNNIAEXSA-N

Data: 2 IC50

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 = 161882   

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
p53-Binding Protein HDMX (Homo sapiens (Human))	BDBM161882 (US9051279, 52) Show SMILES CCN[C@H]1CC[C@H](CN(C)c2ccc(cc2)N2C(c3ccc(Cl)cc3)c3cc(O[C@H](C)CC)c(OC)cc3CC2=O)CC1 |r,wU:6.6,wD:29.31,3.2,(-6.67,6.54,;-6.67,5,;-8,4.23,;-8,2.69,;-9.34,1.92,;-9.34,.38,;-8,-.39,;-8,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-1.93,;-5.33,-.39,;-4,.38,;-2.67,-.39,;-2.67,-1.93,;-4,-2.7,;-1.33,.38,;,-.38,;,-1.92,;-1.33,-2.7,;-1.33,-4.24,;,-5,;,-6.54,;1.33,-4.24,;1.33,-2.7,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.39,;6.67,.38,;6.67,1.92,;8,-.39,;9.34,.38,;4,1.92,;5.33,2.7,;5.33,4.24,;2.67,2.69,;1.33,1.92,;,2.69,;-1.33,1.92,;-2.67,2.7,;-6.67,.38,;-6.67,1.92,)| Show InChI InChI=1S/C36H46ClN3O3/c1-6-24(3)43-34-22-32-27(20-33(34)42-5)21-35(41)40(36(32)26-10-12-28(37)13-11-26)31-18-16-30(17-19-31)39(4)23-25-8-14-29(15-9-25)38-7-2/h10-13,16-20,22,24-25,29,36,38H,6-9,14-15,21,23H2,1-5H3/t24-,25-,29-,36?/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...				US Patent US9051279 (2015) BindingDB Entry DOI: 10.7270/Q2DV1HMM
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM161882 (US9051279, 52) Show SMILES CCN[C@H]1CC[C@H](CN(C)c2ccc(cc2)N2C(c3ccc(Cl)cc3)c3cc(O[C@H](C)CC)c(OC)cc3CC2=O)CC1 |r,wU:6.6,wD:29.31,3.2,(-6.67,6.54,;-6.67,5,;-8,4.23,;-8,2.69,;-9.34,1.92,;-9.34,.38,;-8,-.39,;-8,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-1.93,;-5.33,-.39,;-4,.38,;-2.67,-.39,;-2.67,-1.93,;-4,-2.7,;-1.33,.38,;,-.38,;,-1.92,;-1.33,-2.7,;-1.33,-4.24,;,-5,;,-6.54,;1.33,-4.24,;1.33,-2.7,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.39,;6.67,.38,;6.67,1.92,;8,-.39,;9.34,.38,;4,1.92,;5.33,2.7,;5.33,4.24,;2.67,2.69,;1.33,1.92,;,2.69,;-1.33,1.92,;-2.67,2.7,;-6.67,.38,;-6.67,1.92,)| Show InChI InChI=1S/C36H46ClN3O3/c1-6-24(3)43-34-22-32-27(20-33(34)42-5)21-35(41)40(36(32)26-10-12-28(37)13-11-26)31-18-16-30(17-19-31)39(4)23-25-8-14-29(15-9-25)38-7-2/h10-13,16-20,22,24-25,29,36,38H,6-9,14-15,21,23H2,1-5H3/t24-,25-,29-,36?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...				US Patent US9051279 (2015) BindingDB Entry DOI: 10.7270/Q2DV1HMM
					More data for this Ligand-Target Pair