BDBM347488 US9790180, ID 021

SMILES: Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCCCC2)cc1)-c1cccs1

InChI Key: InChIKey=DYDICNDYGKZHEU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 347488   

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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM347488 (US9790180, ID 021) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCCCC2)cc1)-c1cccs1 Show InChI InChI=1S/C29H34N4O2S/c30-25-13-10-22(27-7-4-18-36-27)19-26(25)32-28(34)20-8-11-23(12-9-20)31-24-14-16-33(17-15-24)29(35)21-5-2-1-3-6-21/h4,7-13,18-19,21,24,31H,1-3,5-6,14-17,30H2,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9790180 (2017) BindingDB Entry DOI: 10.7270/Q2GF0WM8
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM347488 (US9790180, ID 021) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCCCC2)cc1)-c1cccs1 Show InChI InChI=1S/C29H34N4O2S/c30-25-13-10-22(27-7-4-18-36-27)19-26(25)32-28(34)20-8-11-23(12-9-20)31-24-14-16-33(17-15-24)29(35)21-5-2-1-3-6-21/h4,7-13,18-19,21,24,31H,1-3,5-6,14-17,30H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	555	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent									US Patent US9790180 (2017) BindingDB Entry DOI: 10.7270/Q2GF0WM8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM347488 (US9790180, ID 021) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCCCC2)cc1)-c1cccs1 Show InChI InChI=1S/C29H34N4O2S/c30-25-13-10-22(27-7-4-18-36-27)19-26(25)32-28(34)20-8-11-23(12-9-20)31-24-14-16-33(17-15-24)29(35)21-5-2-1-3-6-21/h4,7-13,18-19,21,24,31H,1-3,5-6,14-17,30H2,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent									US Patent US9790180 (2017) BindingDB Entry DOI: 10.7270/Q2GF0WM8
					More data for this Ligand-Target Pair