BDBM347455 US9790180, ID 001

SMILES: CC(C)NC(=O)N1CCC(C)(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1

InChI Key: InChIKey=WHHCLJJSCFXTJN-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 = 347455   

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))	BDBM347455 (US9790180, ID 001) Show SMILES CC(C)NC(=O)N1CCC(C)(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C25H31N7O2S/c1-16(2)29-24(34)32-10-8-25(3,9-11-32)31-23-27-14-18(15-28-23)22(33)30-20-13-17(6-7-19(20)26)21-5-4-12-35-21/h4-7,12-16H,8-11,26H2,1-3H3,(H,29,34)(H,30,33)(H,27,28,31)	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	6.5	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))	BDBM347455 (US9790180, ID 001) Show SMILES CC(C)NC(=O)N1CCC(C)(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C25H31N7O2S/c1-16(2)29-24(34)32-10-8-25(3,9-11-32)31-23-27-14-18(15-28-23)22(33)30-20-13-17(6-7-19(20)26)21-5-4-12-35-21/h4-7,12-16H,8-11,26H2,1-3H3,(H,29,34)(H,30,33)(H,27,28,31)	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	427	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))	BDBM347455 (US9790180, ID 001) Show SMILES CC(C)NC(=O)N1CCC(C)(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C25H31N7O2S/c1-16(2)29-24(34)32-10-8-25(3,9-11-32)31-23-27-14-18(15-28-23)22(33)30-20-13-17(6-7-19(20)26)21-5-4-12-35-21/h4-7,12-16H,8-11,26H2,1-3H3,(H,29,34)(H,30,33)(H,27,28,31)	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	38	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