Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 9424   

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))	BDBM465367 (US10793567, Compound 1 | US11225479, Compound 1) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cn(nc2C1)C1COC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O2/c21-14-3-1-12(2-4-14)17-6-5-16(22)19(23-17)24-20(28)26-7-13-8-27(15-10-29-11-15)25-18(13)9-26/h1-6,8,15H,7,9-11,22H2,(H,23,24,28)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465381 (US10793567, Compound 17 | US11225479, Compound 17) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O/c1-2-18-23-9-13-10-27(11-17(13)24-18)20(28)26-19-15(22)7-8-16(25-19)12-3-5-14(21)6-4-12/h3-9H,2,10-11,22H2,1H3,(H,25,26,28)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465378 (US10793567, Compound 14 | US11225479, Compound 14) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465375 (US10793567, Compound 9 | US11225479, Compound 9) Show SMILES COCCn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI InChI=1S/C20H20F2N6O2/c1-30-7-6-28-10-12-9-27(11-18(12)26-28)20(29)25-19-16(23)4-5-17(24-19)14-3-2-13(21)8-15(14)22/h2-5,8,10H,6-7,9,11,23H2,1H3,(H,24,25,29)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465374 (US10793567, Compound 8 | US11225479, Compound 8) Show SMILES CCc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C20H20N6O/c1-2-16-8-14-11-26(12-15(14)10-23-16)20(27)25-19-17(21)5-6-18(24-19)13-4-3-7-22-9-13/h3-10H,2,11-12,21H2,1H3,(H,24,25,27)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465374 (US10793567, Compound 8 | US11225479, Compound 8) Show SMILES CCc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C20H20N6O/c1-2-16-8-14-11-26(12-15(14)10-23-16)20(27)25-19-17(21)5-6-18(24-19)13-4-3-7-22-9-13/h3-10H,2,11-12,21H2,1H3,(H,24,25,27)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465372 (US10793567, Compound 6) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2nn(nc2C1)C1COC1)-c1ccc(F)cc1F Show InChI InChI=1S/C19H17F2N7O2/c20-10-1-2-12(13(21)5-10)15-4-3-14(22)18(23-15)24-19(29)27-6-16-17(7-27)26-28(25-16)11-8-30-9-11/h1-5,11H,6-9,22H2,(H,23,24,29)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465372 (US10793567, Compound 6) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2nn(nc2C1)C1COC1)-c1ccc(F)cc1F Show InChI InChI=1S/C19H17F2N7O2/c20-10-1-2-12(13(21)5-10)15-4-3-14(22)18(23-15)24-19(29)27-6-16-17(7-27)26-28(25-16)11-8-30-9-11/h1-5,11H,6-9,22H2,(H,23,24,29)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465371 (US10793567, Compound 5 | US11225479, Compound 5) Show SMILES Cc1ncc(s1)-c1ccc(N)c(NC(=O)N2Cc3cn(CC(F)F)nc3C2)n1 Show InChI InChI=1S/C17H17F2N7OS/c1-9-21-4-14(28-9)12-3-2-11(20)16(22-12)23-17(27)25-5-10-6-26(8-15(18)19)24-13(10)7-25/h2-4,6,15H,5,7-8,20H2,1H3,(H,22,23,27)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465369 (US10793567, Compound 3 | US11225479, Compound 3) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1cccs1 Show InChI InChI=1S/C18H18N6OS/c1-2-16-20-8-11-9-24(10-14(11)21-16)18(25)23-17-12(19)5-6-13(22-17)15-4-3-7-26-15/h3-8H,2,9-10,19H2,1H3,(H,22,23,25)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465368 (US10793567, Compound 2 | US11225479, Compound 2) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)s1 Show InChI InChI=1S/C17H15FN6OS/c1-9-20-6-10-7-24(8-13(10)21-9)17(25)23-16-11(19)2-3-12(22-16)14-4-5-15(18)26-14/h2-6H,7-8,19H2,1H3,(H,22,23,25)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465381 (US10793567, Compound 17 | US11225479, Compound 17) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O/c1-2-18-23-9-13-10-27(11-17(13)24-18)20(28)26-19-15(22)7-8-16(25-19)12-3-5-14(21)6-4-12/h3-9H,2,10-11,22H2,1H3,(H,25,26,28)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465373 (US10793567, Compound 7 | US11225479, Compound 7) Show SMILES Cc1nc2CN(Cc2n1C)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H19FN6O/c1-11-22-16-9-26(10-17(16)25(11)2)19(27)24-18-14(21)7-8-15(23-18)12-3-5-13(20)6-4-12/h3-8H,9-10,21H2,1-2H3,(H,23,24,27)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465367 (US10793567, Compound 1 | US11225479, Compound 1) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cn(nc2C1)C1COC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O2/c21-14-3-1-12(2-4-14)17-6-5-16(22)19(23-17)24-20(28)26-7-13-8-27(15-10-29-11-15)25-18(13)9-26/h1-6,8,15H,7,9-11,22H2,(H,23,24,28)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465379 (US10793567, Compound 15) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cnc(CC(F)F)cc2C1)-c1cccnc1 Show InChI InChI=1S/C20H18F2N6O/c21-18(22)7-15-6-13-10-28(11-14(13)9-25-15)20(29)27-19-16(23)3-4-17(26-19)12-2-1-5-24-8-12/h1-6,8-9,18H,7,10-11,23H2,(H,26,27,29)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465379 (US10793567, Compound 15) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cnc(CC(F)F)cc2C1)-c1cccnc1 Show InChI InChI=1S/C20H18F2N6O/c21-18(22)7-15-6-13-10-28(11-14(13)9-25-15)20(29)27-19-16(23)3-4-17(26-19)12-2-1-5-24-8-12/h1-6,8-9,18H,7,10-11,23H2,(H,26,27,29)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465375 (US10793567, Compound 9 | US11225479, Compound 9) Show SMILES COCCn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1F Show InChI InChI=1S/C20H20F2N6O2/c1-30-7-6-28-10-12-9-27(11-18(12)26-28)20(29)25-19-16(23)4-5-17(24-19)14-3-2-13(21)8-15(14)22/h2-5,8,10H,6-7,9,11,23H2,1H3,(H,24,25,29)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465380 (US10793567, Compound 16 | US11225479, Compound 16) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cnc(cc2C1)C(F)F)-c1cccnc1 Show InChI InChI=1S/C19H16F2N6O/c20-17(21)16-6-12-9-27(10-13(12)8-24-16)19(28)26-18-14(22)3-4-15(25-18)11-2-1-5-23-7-11/h1-8,17H,9-10,22H2,(H,25,26,28)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465380 (US10793567, Compound 16 | US11225479, Compound 16) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2cnc(cc2C1)C(F)F)-c1cccnc1 Show InChI InChI=1S/C19H16F2N6O/c20-17(21)16-6-12-9-27(10-13(12)8-24-16)19(28)26-18-14(22)3-4-15(25-18)11-2-1-5-23-7-11/h1-8,17H,9-10,22H2,(H,25,26,28)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465378 (US10793567, Compound 14 | US11225479, Compound 14) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465377 (US10793567, Compound 12 | US11225479, Compound 12) Show SMILES Cc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C19H18N6O/c1-12-7-14-10-25(11-15(14)9-22-12)19(26)24-18-16(20)4-5-17(23-18)13-3-2-6-21-8-13/h2-9H,10-11,20H2,1H3,(H,23,24,26)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465371 (US10793567, Compound 5 | US11225479, Compound 5) Show SMILES Cc1ncc(s1)-c1ccc(N)c(NC(=O)N2Cc3cn(CC(F)F)nc3C2)n1 Show InChI InChI=1S/C17H17F2N7OS/c1-9-21-4-14(28-9)12-3-2-11(20)16(22-12)23-17(27)25-5-10-6-26(8-15(18)19)24-13(10)7-25/h2-4,6,15H,5,7-8,20H2,1H3,(H,22,23,27)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465370 (US10793567, Compound 4 | US11225479, Compound 4) Show SMILES Cc1ncc(s1)-c1ccc(N)c(NC(=O)N2Cc3cn(C)nc3C2)n1 Show InChI InChI=1S/C16H17N7OS/c1-9-18-5-14(25-9)12-4-3-11(17)15(19-12)20-16(24)23-7-10-6-22(2)21-13(10)8-23/h3-6H,7-8,17H2,1-2H3,(H,19,20,24)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465370 (US10793567, Compound 4 | US11225479, Compound 4) Show SMILES Cc1ncc(s1)-c1ccc(N)c(NC(=O)N2Cc3cn(C)nc3C2)n1 Show InChI InChI=1S/C16H17N7OS/c1-9-18-5-14(25-9)12-4-3-11(17)15(19-12)20-16(24)23-7-10-6-22(2)21-13(10)8-23/h3-6H,7-8,17H2,1-2H3,(H,19,20,24)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465377 (US10793567, Compound 12 | US11225479, Compound 12) Show SMILES Cc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C19H18N6O/c1-12-7-14-10-25(11-15(14)9-22-12)19(26)24-18-16(20)4-5-17(23-18)13-3-2-6-21-8-13/h2-9H,10-11,20H2,1H3,(H,23,24,26)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465369 (US10793567, Compound 3 | US11225479, Compound 3) Show SMILES CCc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1cccs1 Show InChI InChI=1S/C18H18N6OS/c1-2-16-20-8-11-9-24(10-14(11)21-16)18(25)23-17-12(19)5-6-13(22-17)15-4-3-7-26-15/h3-8H,2,9-10,19H2,1H3,(H,22,23,25)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465376 (US10793567, Compound 11 | US11225479, Compound 11) Show SMILES Cn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C17H17N7O/c1-23-8-12-9-24(10-15(12)22-23)17(25)21-16-13(18)4-5-14(20-16)11-3-2-6-19-7-11/h2-8H,9-10,18H2,1H3,(H,20,21,25)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465368 (US10793567, Compound 2 | US11225479, Compound 2) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)s1 Show InChI InChI=1S/C17H15FN6OS/c1-9-20-6-10-7-24(8-13(10)21-9)17(25)23-16-11(19)2-3-12(22-16)14-4-5-15(18)26-14/h2-6H,7-8,19H2,1H3,(H,22,23,25)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465376 (US10793567, Compound 11 | US11225479, Compound 11) Show SMILES Cn1cc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C17H17N7O/c1-23-8-12-9-24(10-15(12)22-23)17(25)21-16-13(18)4-5-14(20-16)11-3-2-6-19-7-11/h2-8H,9-10,18H2,1H3,(H,20,21,25)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465373 (US10793567, Compound 7 | US11225479, Compound 7) Show SMILES Cc1nc2CN(Cc2n1C)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H19FN6O/c1-11-22-16-9-26(10-17(16)25(11)2)19(27)24-18-14(21)7-8-15(23-18)12-3-5-13(20)6-4-12/h3-8H,9-10,21H2,1-2H3,(H,23,24,27)	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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair