BDBM162122 US9051279, 105

SMILES: COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1

InChI Key: InChIKey=MWFWTELIAOKJOB-FMSKOOSDSA-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 = 162122   

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
Protein Mdm4 (Homo sapiens (Human))	BDBM162122 (US9051279, 105) Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.11,1.23,;6.77,2,;5.44,1.23,;4.1,2,;2.77,1.23,;1.44,2,;.1,1.23,;-1.23,2,;.1,-.31,;1.44,-1.08,;1.44,-2.62,;.1,-3.39,;.1,-4.93,;1.44,-5.7,;1.44,-7.24,;2.77,-4.93,;2.77,-3.39,;2.77,-.31,;4.1,-1.08,;5.44,-.31,;6.77,-1.08,;6.77,-2.62,;8.11,-3.39,;5.44,-3.39,;-1.23,-1.08,;-2.56,-.31,;-3.9,-1.08,;-3.9,-2.62,;-2.56,-3.39,;-1.23,-2.62,;-5.23,-3.39,;-5.23,-4.93,;-6.57,-2.62,;-6.57,-1.08,;-7.9,-.31,;-7.9,1.23,;-6.57,2,;-5.23,1.23,;-5.23,-.31,;-6.57,3.54,;-5.32,4.44,;-5.8,5.91,;-5.03,7.24,;-7.34,5.91,;-8.11,7.24,;-7.81,4.44,)| Show InChI InChI=1S/C37H45ClN4O4/c1-24(2)46-34-20-32-27(18-33(34)45-5)19-35(43)42(37(32)26-8-10-28(38)11-9-26)31-16-14-29(15-17-31)39(3)21-25-6-12-30(13-7-25)41-22-36(44)40(4)23-41/h8-11,14-18,20,24-25,30,37H,6-7,12-13,19,21-23H2,1-5H3/t25-,30-,37-/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	2.03E+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))	BDBM162122 (US9051279, 105) Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.11,1.23,;6.77,2,;5.44,1.23,;4.1,2,;2.77,1.23,;1.44,2,;.1,1.23,;-1.23,2,;.1,-.31,;1.44,-1.08,;1.44,-2.62,;.1,-3.39,;.1,-4.93,;1.44,-5.7,;1.44,-7.24,;2.77,-4.93,;2.77,-3.39,;2.77,-.31,;4.1,-1.08,;5.44,-.31,;6.77,-1.08,;6.77,-2.62,;8.11,-3.39,;5.44,-3.39,;-1.23,-1.08,;-2.56,-.31,;-3.9,-1.08,;-3.9,-2.62,;-2.56,-3.39,;-1.23,-2.62,;-5.23,-3.39,;-5.23,-4.93,;-6.57,-2.62,;-6.57,-1.08,;-7.9,-.31,;-7.9,1.23,;-6.57,2,;-5.23,1.23,;-5.23,-.31,;-6.57,3.54,;-5.32,4.44,;-5.8,5.91,;-5.03,7.24,;-7.34,5.91,;-8.11,7.24,;-7.81,4.44,)| Show InChI InChI=1S/C37H45ClN4O4/c1-24(2)46-34-20-32-27(18-33(34)45-5)19-35(43)42(37(32)26-8-10-28(38)11-9-26)31-16-14-29(15-17-31)39(3)21-25-6-12-30(13-7-25)41-22-36(44)40(4)23-41/h8-11,14-18,20,24-25,30,37H,6-7,12-13,19,21-23H2,1-5H3/t25-,30-,37-/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	1.80	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