BDBM50449895 CHEMBL4173404

SMILES: CCOc1cc(ccc1C1=NC(C(N1C(=O)N1CCN(CCCCCCCC(=O)NO)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C

InChI Key: InChIKey=KCNXPULEWIDILM-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 = 50449895   

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))	BDBM50449895 (CHEMBL4173404) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)N1CCN(CCCCCCCC(=O)NO)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C40H51Cl2N5O4/c1-5-51-34-27-30(40(2,3)4)16-21-33(34)38-43-36(28-12-17-31(41)18-13-28)37(29-14-19-32(42)20-15-29)47(38)39(49)46-25-23-45(24-26-46)22-10-8-6-7-9-11-35(48)44-50/h12-21,27,36-37,50H,5-11,22-26H2,1-4H3,(H,44,48)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	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))	BDBM50449895 (CHEMBL4173404) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)N1CCN(CCCCCCCC(=O)NO)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C40H51Cl2N5O4/c1-5-51-34-27-30(40(2,3)4)16-21-33(34)38-43-36(28-12-17-31(41)18-13-28)37(29-14-19-32(42)20-15-29)47(38)39(49)46-25-23-45(24-26-46)22-10-8-6-7-9-11-35(48)44-50/h12-21,27,36-37,50H,5-11,22-26H2,1-4H3,(H,44,48)	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	410	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