BDBM347467 US9790180, ID 003

SMILES: Nc1ccc(cc1NC(=O)c1cnc(NC2CCN(CC2)C(=O)N2CCOCC2)nc1)-c1cccs1

InChI Key: InChIKey=PWSVAZFLMDNRFH-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 = 347467   

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))	BDBM347467 (US9790180, ID 003) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(NC2CCN(CC2)C(=O)N2CCOCC2)nc1)-c1cccs1 Show InChI InChI=1S/C25H29N7O3S/c26-20-4-3-17(22-2-1-13-36-22)14-21(20)30-23(33)18-15-27-24(28-16-18)29-19-5-7-31(8-6-19)25(34)32-9-11-35-12-10-32/h1-4,13-16,19H,5-12,26H2,(H,30,33)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM347467 (US9790180, ID 003) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(NC2CCN(CC2)C(=O)N2CCOCC2)nc1)-c1cccs1 Show InChI InChI=1S/C25H29N7O3S/c26-20-4-3-17(22-2-1-13-36-22)14-21(20)30-23(33)18-15-27-24(28-16-18)29-19-5-7-31(8-6-19)25(34)32-9-11-35-12-10-32/h1-4,13-16,19H,5-12,26H2,(H,30,33)(H,27,28,29)	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	204	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))	BDBM347467 (US9790180, ID 003) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(NC2CCN(CC2)C(=O)N2CCOCC2)nc1)-c1cccs1 Show InChI InChI=1S/C25H29N7O3S/c26-20-4-3-17(22-2-1-13-36-22)14-21(20)30-23(33)18-15-27-24(28-16-18)29-19-5-7-31(8-6-19)25(34)32-9-11-35-12-10-32/h1-4,13-16,19H,5-12,26H2,(H,30,33)(H,27,28,29)	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	56	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