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SMILES: CN1CCN(CC1)c1cnc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1

InChI Key: InChIKey=HQDOLDLBRCXLQW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 411380   

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))	BDBM411380 (US10385031, Compound 086 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1cnc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H22N6OS/c1-25-6-8-26(9-7-25)19-13-22-17(12-23-19)20(27)24-16-11-14(4-5-15(16)21)18-3-2-10-28-18/h2-5,10-13H,6-9,21H2,1H3,(H,24,27)	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))	BDBM411380 (US10385031, Compound 086 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1cnc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H22N6OS/c1-25-6-8-26(9-7-25)19-13-22-17(12-23-19)20(27)24-16-11-14(4-5-15(16)21)18-3-2-10-28-18/h2-5,10-13H,6-9,21H2,1H3,(H,24,27)	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))	BDBM411380 (US10385031, Compound 086 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1cnc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H22N6OS/c1-25-6-8-26(9-7-25)19-13-22-17(12-23-19)20(27)24-16-11-14(4-5-15(16)21)18-3-2-10-28-18/h2-5,10-13H,6-9,21H2,1H3,(H,24,27)	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))	BDBM411380 (US10385031, Compound 086 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1cnc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H22N6OS/c1-25-6-8-26(9-7-25)19-13-22-17(12-23-19)20(27)24-16-11-14(4-5-15(16)21)18-3-2-10-28-18/h2-5,10-13H,6-9,21H2,1H3,(H,24,27)	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))	BDBM411380 (US10385031, Compound 086 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1cnc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H22N6OS/c1-25-6-8-26(9-7-25)19-13-22-17(12-23-19)20(27)24-16-11-14(4-5-15(16)21)18-3-2-10-28-18/h2-5,10-13H,6-9,21H2,1H3,(H,24,27)	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))	BDBM411380 (US10385031, Compound 086 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1cnc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H22N6OS/c1-25-6-8-26(9-7-25)19-13-22-17(12-23-19)20(27)24-16-11-14(4-5-15(16)21)18-3-2-10-28-18/h2-5,10-13H,6-9,21H2,1H3,(H,24,27)	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))	BDBM411380 (US10385031, Compound 086 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1cnc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H22N6OS/c1-25-6-8-26(9-7-25)19-13-22-17(12-23-19)20(27)24-16-11-14(4-5-15(16)21)18-3-2-10-28-18/h2-5,10-13H,6-9,21H2,1H3,(H,24,27)	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))	BDBM411380 (US10385031, Compound 086 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1cnc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H22N6OS/c1-25-6-8-26(9-7-25)19-13-22-17(12-23-19)20(27)24-16-11-14(4-5-15(16)21)18-3-2-10-28-18/h2-5,10-13H,6-9,21H2,1H3,(H,24,27)	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))	BDBM411380 (US10385031, Compound 086 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1cnc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H22N6OS/c1-25-6-8-26(9-7-25)19-13-22-17(12-23-19)20(27)24-16-11-14(4-5-15(16)21)18-3-2-10-28-18/h2-5,10-13H,6-9,21H2,1H3,(H,24,27)	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