BDBM50449925 CHEMBL4159921

SMILES: CCOc1cc(ccc1C1=NC(C(N1C(=O)NCCCCCCC(=O)NO)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C

InChI Key: InChIKey=XWBUVJPLUFUIMS-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50449925   

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))	BDBM50449925 (CHEMBL4159921) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)NCCCCCCC(=O)NO)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C35H42Cl2N4O4/c1-5-45-29-22-25(35(2,3)4)15-20-28(29)33-39-31(23-11-16-26(36)17-12-23)32(24-13-18-27(37)19-14-24)41(33)34(43)38-21-9-7-6-8-10-30(42)40-44/h11-20,22,31-32,44H,5-10,21H2,1-4H3,(H,38,43)(H,40,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of MDM2 (unknown origin) preincubated for 30 mins by fluorescence polarization assay				J Med Chem 61: 7245-7260 (2018) Article DOI: 10.1021/acs.jmedchem.8b00664 BindingDB Entry DOI: 10.7270/Q2R213Z9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50449925 (CHEMBL4159921) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)NCCCCCCC(=O)NO)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C35H42Cl2N4O4/c1-5-45-29-22-25(35(2,3)4)15-20-28(29)33-39-31(23-11-16-26(36)17-12-23)32(24-13-18-27(37)19-14-24)41(33)34(43)38-21-9-7-6-8-10-30(42)40-44/h11-20,22,31-32,44H,5-10,21H2,1-4H3,(H,38,43)(H,40,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant full length HDAC1 using fluorogenic substrate 3 after 30 mins by fluorescence assay				J Med Chem 61: 7245-7260 (2018) Article DOI: 10.1021/acs.jmedchem.8b00664 BindingDB Entry DOI: 10.7270/Q2R213Z9
					More data for this Ligand-Target Pair