BDBM162139 US9051279, 122

SMILES: CNC(=O)CN[C@H]1CC[C@H](CN(C)c2ccc(nc2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1

InChI Key: InChIKey=XOJSJNMPMVGIEX-TWCVDLNQSA-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 = 162139   

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))	BDBM162139 (US9051279, 122) Show SMILES CNC(=O)CN[C@H]1CC[C@H](CN(C)c2ccc(nc2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1 |r,wU:6.5,wD:20.21,9.9,(-3.33,2.69,;-4.67,3.47,;-4.67,5,;-3.33,5.78,;-6,5.78,;-7.34,5,;-7.34,3.47,;-6,2.69,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-6,-3.47,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;4.67,2.69,;6,3.47,;6,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-8.67,1.15,;-8.67,2.69,)| Show InChI InChI=1S/C35H44ClN5O4/c1-22(2)45-31-18-29-25(16-30(31)44-5)17-34(43)41(35(29)24-8-10-26(36)11-9-24)32-15-14-28(19-39-32)40(4)21-23-6-12-27(13-7-23)38-20-33(42)37-3/h8-11,14-16,18-19,22-23,27,35,38H,6-7,12-13,17,20-21H2,1-5H3,(H,37,42)/t23-,27-,35-/m0/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	8.34E+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))	BDBM162139 (US9051279, 122) Show SMILES CNC(=O)CN[C@H]1CC[C@H](CN(C)c2ccc(nc2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1 |r,wU:6.5,wD:20.21,9.9,(-3.33,2.69,;-4.67,3.47,;-4.67,5,;-3.33,5.78,;-6,5.78,;-7.34,5,;-7.34,3.47,;-6,2.69,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-6,-3.47,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;4.67,2.69,;6,3.47,;6,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-8.67,1.15,;-8.67,2.69,)| Show InChI InChI=1S/C35H44ClN5O4/c1-22(2)45-31-18-29-25(16-30(31)44-5)17-34(43)41(35(29)24-8-10-26(36)11-9-24)32-15-14-28(19-39-32)40(4)21-23-6-12-27(13-7-23)38-20-33(42)37-3/h8-11,14-16,18-19,22-23,27,35,38H,6-7,12-13,17,20-21H2,1-5H3,(H,37,42)/t23-,27-,35-/m0/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	7.70	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