null

SMILES: Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccc(F)cc1

InChI Key: InChIKey=UDTRIAUKGPKOSZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 411347   

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))	BDBM411347 (US10385031, Compound 053 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)	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	<10	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 US10385031 (2019) BindingDB Entry DOI: 10.7270/Q28P62WR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM411347 (US10385031, Compound 053 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)	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	<10	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 US10385031 (2019) BindingDB Entry DOI: 10.7270/Q28P62WR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM411347 (US10385031, Compound 053 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)	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	<1.00E+3	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 US10385031 (2019) BindingDB Entry DOI: 10.7270/Q28P62WR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411347 (US10385031, Compound 053 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. 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 US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM411347 (US10385031, Compound 053 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)	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	255	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XD15H9
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM411347 (US10385031, Compound 053 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)	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	255	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent									US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411347 (US10385031, Compound 053 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XD15H9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM411347 (US10385031, Compound 053 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XD15H9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM411347 (US10385031, Compound 053 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent									US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair