BDBM50513211 CHEMBL4548050

SMILES: CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CC2(CC2)NC[C@@H]1C

InChI Key: InChIKey=CVLAFGRKHWIHOQ-ZAUHVZEBSA-N

Data: 1 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 1 hit for monomerid = 50513211   

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
MDM2-MDMX (Homo sapiens (Human))	BDBM50513211 (CHEMBL4548050) Show SMILES CC(C)C1=C(SC2=N[C@](C)([C@H](N12)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CC2(CC2)NC[C@@H]1C |r,t:3,6| Show InChI InChI=1S/C34H37Cl2F2N5O2S/c1-18(2)27-28(31(45)41-16-23(37)14-26(41)30(44)42-17-34(11-12-34)39-15-19(42)3)46-32-40-33(4,21-6-8-22(35)9-7-21)29(43(27)32)20-5-10-24(36)25(38)13-20/h5-10,13,18-19,23,26,29,39H,11-12,14-17H2,1-4H3/t19-,23+,26-,29+,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of p53 protein binding to MDM2 (unknown origin)				Eur J Med Chem 176: 92-104 (2019) Article DOI: 10.1016/j.ejmech.2019.05.018
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