Compile Data Set for Download or QSAR

Found 197 hits Enz. Inhib. hit(s) with all data for entry = 9362   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411328 (US10385031, Compound 034 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(s1)N1CCNCC1)-c1ccco1 Show InChI InChI=1S/C18H19N5O2S/c19-13-4-3-12(15-2-1-9-25-15)10-14(13)22-17(24)16-11-21-18(26-16)23-7-5-20-6-8-23/h1-4,9-11,20H,5-8,19H2,(H,22,24)	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 1 (Homo sapiens (Human))	BDBM411384 (US10385031, Compound 090 | US10774056, Compound 09...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(cn1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN6O/c22-16-4-1-14(2-5-16)15-3-6-17(23)18(11-15)27-21(29)19-12-26-20(13-25-19)28-9-7-24-8-10-28/h1-6,11-13,24H,7-10,23H2,(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 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 1 (Homo sapiens (Human))	BDBM411331 (US10385031, Compound 037 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(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)18-12-24-20(28-18)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 1 (Homo sapiens (Human))	BDBM411332 (US10385031, Compound 038 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cn1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN5O/c23-17-4-1-15(2-5-17)16-3-7-19(24)21(13-16)27-22(29)20-8-6-18(14-26-20)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 1 (Homo sapiens (Human))	BDBM411333 (US10385031, Compound 039 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1cccs1 Show InChI InChI=1S/C18H19N5OS2/c19-13-4-3-12(15-2-1-9-25-15)10-14(13)22-17(24)18-21-11-16(26-18)23-7-5-20-6-8-23/h1-4,9-11,20H,5-8,19H2,(H,22,24)	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 2 (Homo sapiens (Human))	BDBM411333 (US10385031, Compound 039 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1cccs1 Show InChI InChI=1S/C18H19N5OS2/c19-13-4-3-12(15-2-1-9-25-15)10-14(13)22-17(24)18-21-11-16(26-18)23-7-5-20-6-8-23/h1-4,9-11,20H,5-8,19H2,(H,22,24)	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411334 (US10385031, Compound 040 | US10774056, Compound 04...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(cn1)N1CCNCC1)-c1cccs1 Show InChI InChI=1S/C19H20N6OS/c20-14-4-3-13(17-2-1-9-27-17)10-15(14)24-19(26)16-11-23-18(12-22-16)25-7-5-21-6-8-25/h1-4,9-12,21H,5-8,20H2,(H,24,26)	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 2 (Homo sapiens (Human))	BDBM411334 (US10385031, Compound 040 | US10774056, Compound 04...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(cn1)N1CCNCC1)-c1cccs1 Show InChI InChI=1S/C19H20N6OS/c20-14-4-3-13(17-2-1-9-27-17)10-15(14)24-19(26)16-11-23-18(12-22-16)25-7-5-21-6-8-25/h1-4,9-12,21H,5-8,20H2,(H,24,26)	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411335 (US10385031, Compound 041 | US10774056, Compound 04...) Show SMILES Cc1nc(sc1N1CCNCC1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H21N5OS2/c1-12-19(24-8-6-21-7-9-24)27-18(22-12)17(25)23-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-11,21H,6-9,20H2,1H3,(H,23,25)	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 1 (Homo sapiens (Human))	BDBM411336 (US10385031, Compound 042 | US10774056, Compound 04...) Show SMILES Cc1nc(sc1N1CCNCC1)C(=O)Nc1cc(ccc1N)-c1ccco1 Show InChI InChI=1S/C19H21N5O2S/c1-12-19(24-8-6-21-7-9-24)27-18(22-12)17(25)23-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-11,21H,6-9,20H2,1H3,(H,23,25)	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 1 (Homo sapiens (Human))	BDBM411337 (US10385031, Compound 043 | US10774056, Compound 04...) Show SMILES Cc1nc(sc1N1CCNCC1)C(=O)Nc1cc(ccc1N)-c1ccoc1 Show InChI InChI=1S/C19H21N5O2S/c1-12-19(24-7-5-21-6-8-24)27-18(22-12)17(25)23-16-10-13(2-3-15(16)20)14-4-9-26-11-14/h2-4,9-11,21H,5-8,20H2,1H3,(H,23,25)	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 1 (Homo sapiens (Human))	BDBM411340 (US10385031, Compound 046 | US10774056, Compound 04...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(s1)N1CCNCC1)-c1ccoc1 Show InChI InChI=1S/C18H19N5O2S/c19-14-2-1-12(13-3-8-25-11-13)9-15(14)22-17(24)16-10-21-18(26-16)23-6-4-20-5-7-23/h1-3,8-11,20H,4-7,19H2,(H,22,24)	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 1 (Homo sapiens (Human))	BDBM411341 (US10385031, Compound 047 | US10385031, Compound 04...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(s1)N1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C20H21N5OS/c21-16-7-6-15(14-4-2-1-3-5-14)12-17(16)24-19(26)18-13-23-20(27-18)25-10-8-22-9-11-25/h1-7,12-13,22H,8-11,21H2,(H,24,26)	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 1 (Homo sapiens (Human))	BDBM411342 (US10385031, Compound 048 | US10774056, Compound 04...) Show SMILES CN1CCN(CC1)c1ncc(s1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C21H23N5OS/c1-25-9-11-26(12-10-25)21-23-14-19(28-21)20(27)24-18-13-16(7-8-17(18)22)15-5-3-2-4-6-15/h2-8,13-14H,9-12,22H2,1H3,(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 1 (Homo sapiens (Human))	BDBM461284 (US10774056, Compound 049 | US11542242, Compound 04...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C20H21N5OS/c21-16-7-6-15(14-4-2-1-3-5-14)12-17(16)24-19(26)20-23-13-18(27-20)25-10-8-22-9-11-25/h1-7,12-13,22H,8-11,21H2,(H,24,26)	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 1 (Homo sapiens (Human))	BDBM411344 (US10385031, Compound 050 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccco1 Show InChI InChI=1S/C18H19N5O2S/c19-13-4-3-12(15-2-1-9-25-15)10-14(13)22-17(24)18-21-11-16(26-18)23-7-5-20-6-8-23/h1-4,9-11,20H,5-8,19H2,(H,22,24)	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 1 (Homo sapiens (Human))	BDBM411345 (US10385031, Compound 051 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccoc1 Show InChI InChI=1S/C18H19N5O2S/c19-14-2-1-12(13-3-8-25-11-13)9-15(14)22-17(24)18-21-10-16(26-18)23-6-4-20-5-7-23/h1-3,8-11,20H,4-7,19H2,(H,22,24)	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 2 (Homo sapiens (Human))	BDBM411345 (US10385031, Compound 051 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccoc1 Show InChI InChI=1S/C18H19N5O2S/c19-14-2-1-12(13-3-8-25-11-13)9-15(14)22-17(24)18-21-10-16(26-18)23-6-4-20-5-7-23/h1-3,8-11,20H,4-7,19H2,(H,22,24)	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411346 (US10385031, Compound 052 | US10774056, Compound 05...) Show SMILES Nc1ccc(cc1NC(=O)c1ncc(s1)N1CCNCC1)-c1ccncc1 Show InChI InChI=1S/C19H20N6OS/c20-15-2-1-14(13-3-5-21-6-4-13)11-16(15)24-18(26)19-23-12-17(27-19)25-9-7-22-8-10-25/h1-6,11-12,22H,7-10,20H2,(H,24,26)	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 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 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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411348 (US10385031, Compound 054 | US10774056, Compound 05...) Show SMILES CN1CCN(CC1)c1cnc(s1)C(=O)Nc1cc(ccc1N)-c1ccco1 Show InChI InChI=1S/C19H21N5O2S/c1-23-6-8-24(9-7-23)17-12-21-19(27-17)18(25)22-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-12H,6-9,20H2,1H3,(H,22,25)	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 1 (Homo sapiens (Human))	BDBM411358 (US10385031, Compound 064 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C21H22N4OS/c22-17-7-6-16(15-4-2-1-3-5-15)14-18(17)24-21(26)19-8-9-20(27-19)25-12-10-23-11-13-25/h1-9,14,23H,10-13,22H2,(H,24,26)	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 1 (Homo sapiens (Human))	BDBM411359 (US10385031, Compound 065 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccco1 Show InChI InChI=1S/C19H20N4O2S/c20-14-4-3-13(16-2-1-11-25-16)12-15(14)22-19(24)17-5-6-18(26-17)23-9-7-21-8-10-23/h1-6,11-12,21H,7-10,20H2,(H,22,24)	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 1 (Homo sapiens (Human))	BDBM411360 (US10385031, Compound 066 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccoc1 Show InChI InChI=1S/C19H20N4O2S/c20-15-2-1-13(14-5-10-25-12-14)11-16(15)22-19(24)17-3-4-18(26-17)23-8-6-21-7-9-23/h1-5,10-12,21H,6-9,20H2,(H,22,24)	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 1 (Homo sapiens (Human))	BDBM411361 (US10385031, Compound 067 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccncc1 Show InChI InChI=1S/C20H21N5OS/c21-16-2-1-15(14-5-7-22-8-6-14)13-17(16)24-20(26)18-3-4-19(27-18)25-11-9-23-10-12-25/h1-8,13,23H,9-12,21H2,(H,24,26)	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 1 (Homo sapiens (Human))	BDBM411362 (US10385031, Compound 068 | US10774056, Compound 06...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(s1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN4OS/c22-16-4-1-14(2-5-16)15-3-6-17(23)18(13-15)25-21(27)19-7-8-20(28-19)26-11-9-24-10-12-26/h1-8,13,24H,9-12,23H2,(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 1 (Homo sapiens (Human))	BDBM411364 (US10385031, Compound 070 | US10774056, Compound 07...) Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H25N5O/c1-27-11-13-28(14-12-27)22-10-8-19(16-25-22)23(29)26-21-15-18(7-9-20(21)24)17-5-3-2-4-6-17/h2-10,15-16H,11-14,24H2,1H3,(H,26,29)	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 1 (Homo sapiens (Human))	BDBM411365 (US10385031, Compound 071 | US10774056, Compound 07...) Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H23N5OS/c1-25-8-10-26(11-9-25)20-7-5-16(14-23-20)21(27)24-18-13-15(4-6-17(18)22)19-3-2-12-28-19/h2-7,12-14H,8-11,22H2,1H3,(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 1 (Homo sapiens (Human))	BDBM411368 (US10385031, Compound 074 | US10774056, Compound 07...) Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccco1 Show InChI InChI=1S/C21H23N5O2/c1-25-8-10-26(11-9-25)20-7-5-16(14-23-20)21(27)24-18-13-15(4-6-17(18)22)19-3-2-12-28-19/h2-7,12-14H,8-11,22H2,1H3,(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 1 (Homo sapiens (Human))	BDBM411369 (US10385031, Compound 075 | US10774056, Compound 07...) Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccoc1 Show InChI InChI=1S/C21H23N5O2/c1-25-7-9-26(10-8-25)20-5-3-16(13-23-20)21(27)24-19-12-15(2-4-18(19)22)17-6-11-28-14-17/h2-6,11-14H,7-10,22H2,1H3,(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 1 (Homo sapiens (Human))	BDBM411370 (US10385031, Compound 076 | US10774056, Compound 07...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccccc1F Show InChI InChI=1S/C22H22FN5O/c23-18-4-2-1-3-17(18)15-5-7-19(24)20(13-15)27-22(29)16-6-8-21(26-14-16)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 1 (Homo sapiens (Human))	BDBM411373 (US10385031, Compound 079 | US10774056, Compound 07...) Show SMILES CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H25N5O/c1-27-11-13-28(14-12-27)19-8-10-21(25-16-19)23(29)26-22-15-18(7-9-20(22)24)17-5-3-2-4-6-17/h2-10,15-16H,11-14,24H2,1H3,(H,26,29)	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 1 (Homo sapiens (Human))	BDBM411374 (US10385031, Compound 080 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H23N5OS/c1-25-8-10-26(11-9-25)16-5-7-18(23-14-16)21(27)24-19-13-15(4-6-17(19)22)20-3-2-12-28-20/h2-7,12-14H,8-11,22H2,1H3,(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 2 (Homo sapiens (Human))	BDBM411374 (US10385031, Compound 080 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H23N5OS/c1-25-8-10-26(11-9-25)16-5-7-18(23-14-16)21(27)24-19-13-15(4-6-17(19)22)20-3-2-12-28-20/h2-7,12-14H,8-11,22H2,1H3,(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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411376 (US10385031, Compound 082 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1ccco1 Show InChI InChI=1S/C21H23N5O2/c1-25-8-10-26(11-9-25)16-5-7-18(23-14-16)21(27)24-19-13-15(4-6-17(19)22)20-3-2-12-28-20/h2-7,12-14H,8-11,22H2,1H3,(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 1 (Homo sapiens (Human))	BDBM411377 (US10385031, Compound 083 | US10774056, Compound 08...) Show SMILES CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1ccoc1 Show InChI InChI=1S/C21H23N5O2/c1-25-7-9-26(10-8-25)17-3-5-19(23-13-17)21(27)24-20-12-15(2-4-18(20)22)16-6-11-28-14-16/h2-6,11-14H,7-10,22H2,1H3,(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 1 (Homo sapiens (Human))	BDBM411379 (US10385031, Compound 085 | US10774056, Compound 08...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(cn1)N1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C21H22N6O/c22-17-7-6-16(15-4-2-1-3-5-15)12-18(17)26-21(28)19-13-25-20(14-24-19)27-10-8-23-9-11-27/h1-7,12-14,23H,8-11,22H2,(H,26,28)	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 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 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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM411381 (US10385031, Compound 087 | US10774056, Compound 08...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(cn1)N1CCNCC1)-c1ccco1 Show InChI InChI=1S/C19H20N6O2/c20-14-4-3-13(17-2-1-9-27-17)10-15(14)24-19(26)16-11-23-18(12-22-16)25-7-5-21-6-8-25/h1-4,9-12,21H,5-8,20H2,(H,24,26)	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 1 (Homo sapiens (Human))	BDBM411382 (US10385031, Compound 088 | US10774056, Compound 08...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(cn1)N1CCNCC1)-c1ccoc1 Show InChI InChI=1S/C19H20N6O2/c20-15-2-1-13(14-3-8-27-12-14)9-16(15)24-19(26)17-10-23-18(11-22-17)25-6-4-21-5-7-25/h1-3,8-12,21H,4-7,20H2,(H,24,26)	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 1 (Homo sapiens (Human))	BDBM411329 (US10385031, Compound 035 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H24FN5O/c27-21-6-1-17(2-7-21)18-3-8-22(28)24(16-18)31-26(33)20-4-9-23-19(15-20)5-10-25(30-23)32-13-11-29-12-14-32/h1-10,15-16,29H,11-14,28H2,(H,31,33)	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 2 (Homo sapiens (Human))	BDBM411328 (US10385031, Compound 034 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(s1)N1CCNCC1)-c1ccco1 Show InChI InChI=1S/C18H19N5O2S/c19-13-4-3-12(15-2-1-9-25-15)10-14(13)22-17(24)16-11-21-18(26-16)23-7-5-20-6-8-23/h1-4,9-11,20H,5-8,19H2,(H,22,24)	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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM411328 (US10385031, Compound 034 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(s1)N1CCNCC1)-c1ccco1 Show InChI InChI=1S/C18H19N5O2S/c19-13-4-3-12(15-2-1-9-25-15)10-14(13)22-17(24)16-11-21-18(26-16)23-7-5-20-6-8-23/h1-4,9-11,20H,5-8,19H2,(H,22,24)	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 2 (Homo sapiens (Human))	BDBM411329 (US10385031, Compound 035 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H24FN5O/c27-21-6-1-17(2-7-21)18-3-8-22(28)24(16-18)31-26(33)20-4-9-23-19(15-20)5-10-25(30-23)32-13-11-29-12-14-32/h1-10,15-16,29H,11-14,28H2,(H,31,33)	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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM411329 (US10385031, Compound 035 | US10774056, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H24FN5O/c27-21-6-1-17(2-7-21)18-3-8-22(28)24(16-18)31-26(33)20-4-9-23-19(15-20)5-10-25(30-23)32-13-11-29-12-14-32/h1-10,15-16,29H,11-14,28H2,(H,31,33)	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 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
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

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