BDBM50449899 CHEMBL4175049

SMILES: CCOc1cc(ccc1C1=NC(C(N1C(=O)NCCCCC(=O)Nc1ccccc1N)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C

InChI Key: InChIKey=HLRSMWOUOQSYFC-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 = 50449899   

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))	BDBM50449899 (CHEMBL4175049) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)NCCCCC(=O)Nc1ccccc1N)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C39H43Cl2N5O3/c1-5-49-33-24-27(39(2,3)4)17-22-30(33)37-45-35(25-13-18-28(40)19-14-25)36(26-15-20-29(41)21-16-26)46(37)38(48)43-23-9-8-12-34(47)44-32-11-7-6-10-31(32)42/h6-7,10-11,13-22,24,35-36H,5,8-9,12,23,42H2,1-4H3,(H,43,48)(H,44,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	960	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))	BDBM50449899 (CHEMBL4175049) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)NCCCCC(=O)Nc1ccccc1N)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C39H43Cl2N5O3/c1-5-49-33-24-27(39(2,3)4)17-22-30(33)37-45-35(25-13-18-28(40)19-14-25)36(26-15-20-29(41)21-16-26)46(37)38(48)43-23-9-8-12-34(47)44-32-11-7-6-10-31(32)42/h6-7,10-11,13-22,24,35-36H,5,8-9,12,23,42H2,1-4H3,(H,43,48)(H,44,47)	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	>2.00E+4	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