BDBM347500 US9790180, ID 032

SMILES: Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCCC2)cc1)-c1ccncc1

InChI Key: InChIKey=AKDNRTSLDQTNPR-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 = 347500   

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))	BDBM347500 (US9790180, ID 032) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCCC2)cc1)-c1ccncc1 Show InChI InChI=1S/C28H32N6O2/c29-25-8-5-22(20-9-13-30-14-10-20)19-26(25)32-27(35)21-3-6-23(7-4-21)31-24-11-17-34(18-12-24)28(36)33-15-1-2-16-33/h3-10,13-14,19,24,31H,1-2,11-12,15-18,29H2,(H,32,35)	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	17	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))	BDBM347500 (US9790180, ID 032) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCCC2)cc1)-c1ccncc1 Show InChI InChI=1S/C28H32N6O2/c29-25-8-5-22(20-9-13-30-14-10-20)19-26(25)32-27(35)21-3-6-23(7-4-21)31-24-11-17-34(18-12-24)28(36)33-15-1-2-16-33/h3-10,13-14,19,24,31H,1-2,11-12,15-18,29H2,(H,32,35)	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	397	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))	BDBM347500 (US9790180, ID 032) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCCC2)cc1)-c1ccncc1 Show InChI InChI=1S/C28H32N6O2/c29-25-8-5-22(20-9-13-30-14-10-20)19-26(25)32-27(35)21-3-6-23(7-4-21)31-24-11-17-34(18-12-24)28(36)33-15-1-2-16-33/h3-10,13-14,19,24,31H,1-2,11-12,15-18,29H2,(H,32,35)	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	20	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