BDBM50016942 CHEMBL3286733

SMILES: Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccsc1

InChI Key: InChIKey=CZBWGHKLVDVZHV-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 = 50016942   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50016942 (CHEMBL3286733) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccsc1 Show InChI InChI=1S/C23H23N5O3S/c24-18-3-1-15(17-5-10-32-13-17)11-19(18)27-21(29)16-2-4-20(25-12-16)28-8-6-23(7-9-28)14-26-22(30)31-23/h1-5,10-13H,6-9,14,24H2,(H,26,30)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG				ACS Med Chem Lett 5: 340-5 (2014) Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50016942 (CHEMBL3286733) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccsc1 Show InChI InChI=1S/C23H23N5O3S/c24-18-3-1-15(17-5-10-32-13-17)11-19(18)27-21(29)16-2-4-20(25-12-16)28-8-6-23(7-9-28)14-26-22(30)31-23/h1-5,10-13H,6-9,14,24H2,(H,26,30)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub...				ACS Med Chem Lett 5: 340-5 (2014) Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7
					More data for this Ligand-Target Pair