null

SMILES: Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccc(F)cc1

InChI Key: InChIKey=VLYHBLHZYQAYCG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 411330   

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))	BDBM411330 (US10385031, Compound 036 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN5O/c23-18-5-1-15(2-6-18)16-3-7-19(24)20(13-16)27-22(29)17-4-8-21(26-14-17)28-11-9-25-10-12-28/h1-8,13-14,25H,9-12,24H2,(H,27,29)	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	<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))	BDBM411330 (US10385031, Compound 036 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN5O/c23-18-5-1-15(2-6-18)16-3-7-19(24)20(13-16)27-22(29)17-4-8-21(26-14-17)28-11-9-25-10-12-28/h1-8,13-14,25H,9-12,24H2,(H,27,29)	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	<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 3 (Homo sapiens (Human))	BDBM411330 (US10385031, Compound 036 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN5O/c23-18-5-1-15(2-6-18)16-3-7-19(24)20(13-16)27-22(29)17-4-8-21(26-14-17)28-11-9-25-10-12-28/h1-8,13-14,25H,9-12,24H2,(H,27,29)	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	<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))	BDBM411330 (US10385031, Compound 036 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN5O/c23-18-5-1-15(2-6-18)16-3-7-19(24)20(13-16)27-22(29)17-4-8-21(26-14-17)28-11-9-25-10-12-28/h1-8,13-14,25H,9-12,24H2,(H,27,29)	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	<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))	BDBM411330 (US10385031, Compound 036 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN5O/c23-18-5-1-15(2-6-18)16-3-7-19(24)20(13-16)27-22(29)17-4-8-21(26-14-17)28-11-9-25-10-12-28/h1-8,13-14,25H,9-12,24H2,(H,27,29)	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	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))	BDBM411330 (US10385031, Compound 036 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN5O/c23-18-5-1-15(2-6-18)16-3-7-19(24)20(13-16)27-22(29)17-4-8-21(26-14-17)28-11-9-25-10-12-28/h1-8,13-14,25H,9-12,24H2,(H,27,29)	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	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))	BDBM411330 (US10385031, Compound 036 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN5O/c23-18-5-1-15(2-6-18)16-3-7-19(24)20(13-16)27-22(29)17-4-8-21(26-14-17)28-11-9-25-10-12-28/h1-8,13-14,25H,9-12,24H2,(H,27,29)	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	<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))	BDBM411330 (US10385031, Compound 036 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN5O/c23-18-5-1-15(2-6-18)16-3-7-19(24)20(13-16)27-22(29)17-4-8-21(26-14-17)28-11-9-25-10-12-28/h1-8,13-14,25H,9-12,24H2,(H,27,29)	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	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 2 (Homo sapiens (Human))	BDBM411330 (US10385031, Compound 036 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN5O/c23-18-5-1-15(2-6-18)16-3-7-19(24)20(13-16)27-22(29)17-4-8-21(26-14-17)28-11-9-25-10-12-28/h1-8,13-14,25H,9-12,24H2,(H,27,29)	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	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