Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50140248'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50140248 (CHEMBL3752382) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C70H109N19O19/c1-34(2)26-47(62(100)81-45(22-23-56(94)95)60(98)80-44(16-11-12-24-71)59(97)84-49(28-36(5)6)64(102)85-48(27-35(3)4)63(101)82-46(69(107)108)17-13-25-77-70(75)76)86-66(104)52(31-54(72)92)83-58(96)37(7)79-61(99)50(29-39-18-20-41(91)21-19-39)87-65(103)51(30-40-33-78-43-15-10-9-14-42(40)43)88-67(105)53(32-55(73)93)89-68(106)57(74)38(8)90/h9-10,14-15,18-21,33-38,44-53,57,78,90-91H,11-13,16-17,22-32,71,74H2,1-8H3,(H2,72,92)(H2,73,93)(H,79,99)(H,80,98)(H,81,100)(H,82,101)(H,83,96)(H,84,97)(H,85,102)(H,86,104)(H,87,103)(H,88,105)(H,89,106)(H,94,95)(H,107,108)(H4,75,76,77)/t37-,38+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin)				Bioorg Med Chem Lett 26: 707-13 (2016) Article DOI: 10.1016/j.bmcl.2015.12.084 BindingDB Entry DOI: 10.7270/Q2668G28
					More data for this Ligand-Target Pair