BDBM162166 US9051279, 149

SMILES: COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1cnc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1

InChI Key: InChIKey=MTVMVQKGJODTNB-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 = 162166   

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))	BDBM162166 (US9051279, 149) Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1cnc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(11.96,4.75,;10.62,5.52,;9.29,4.75,;7.96,5.52,;6.62,4.75,;5.29,5.52,;3.96,4.75,;2.62,5.52,;3.96,3.21,;5.29,2.44,;5.29,.9,;3.96,.13,;3.96,-1.41,;5.29,-2.18,;5.29,-3.72,;6.62,-1.41,;6.62,.13,;6.62,3.21,;7.96,2.44,;9.29,3.21,;10.62,2.44,;10.62,.9,;11.96,.13,;9.29,.13,;2.62,2.44,;2.62,.9,;1.29,.13,;-.05,.9,;-.05,2.44,;1.29,3.21,;-1.38,.13,;-1.38,-1.41,;-2.71,.9,;-4.05,.13,;-5.38,.9,;-6.71,.13,;-6.71,-1.41,;-5.38,-2.18,;-4.05,-1.41,;-8.05,-2.18,;-8.05,-3.72,;-9.51,-4.19,;-10.28,-5.52,;-10.42,-2.95,;-11.96,-2.95,;-9.51,-1.7,)| Show InChI InChI=1S/C35H43ClN6O4/c1-22(2)46-30-16-28-25(14-29(30)45-5)15-33(43)42(35(28)24-8-10-26(36)11-9-24)32-18-37-31(17-38-32)39(3)19-23-6-12-27(13-7-23)41-20-34(44)40(4)21-41/h8-11,14,16-18,22-23,27,35H,6-7,12-13,15,19-21H2,1-5H3/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	4.13E+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))	BDBM162166 (US9051279, 149) Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1cnc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(11.96,4.75,;10.62,5.52,;9.29,4.75,;7.96,5.52,;6.62,4.75,;5.29,5.52,;3.96,4.75,;2.62,5.52,;3.96,3.21,;5.29,2.44,;5.29,.9,;3.96,.13,;3.96,-1.41,;5.29,-2.18,;5.29,-3.72,;6.62,-1.41,;6.62,.13,;6.62,3.21,;7.96,2.44,;9.29,3.21,;10.62,2.44,;10.62,.9,;11.96,.13,;9.29,.13,;2.62,2.44,;2.62,.9,;1.29,.13,;-.05,.9,;-.05,2.44,;1.29,3.21,;-1.38,.13,;-1.38,-1.41,;-2.71,.9,;-4.05,.13,;-5.38,.9,;-6.71,.13,;-6.71,-1.41,;-5.38,-2.18,;-4.05,-1.41,;-8.05,-2.18,;-8.05,-3.72,;-9.51,-4.19,;-10.28,-5.52,;-10.42,-2.95,;-11.96,-2.95,;-9.51,-1.7,)| Show InChI InChI=1S/C35H43ClN6O4/c1-22(2)46-30-16-28-25(14-29(30)45-5)15-33(43)42(35(28)24-8-10-26(36)11-9-24)32-18-37-31(17-38-32)39(3)19-23-6-12-27(13-7-23)41-20-34(44)40(4)21-41/h8-11,14,16-18,22-23,27,35H,6-7,12-13,15,19-21H2,1-5H3/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	4.30	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