Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'schoop' and Initial = 'a'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8117 (Hydroxyethylene Sulfone 17b | N-[(2S,3R,5S)-1-(3-b...) Show SMILES CC(C)C[C@@H](C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C31H37BrFNO5S/c1-20(2)15-27(40(37,38)26-13-11-25(33)12-14-26)18-29(35)28(17-23-9-6-10-24(32)16-23)34-30(36)19-39-31-21(3)7-5-8-22(31)4/h5-14,16,20,27-29,35H,15,17-19H2,1-4H3,(H,34,36)/t27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	45	-41.9	85	n/a	n/a	n/a	n/a	5.5	25
Philipps-Universitat Marburg					Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...				J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8123 (Hydroxyethylene Sulfone 18a | N-((1S,2R,4S)-1-(3-b...) Show SMILES CNc1ccc(cc1)S(=O)(=O)[C@@H](CC(C)C)C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C |r| Show InChI InChI=1S/C32H41BrN2O5S/c1-21(2)16-28(41(38,39)27-14-12-26(34-5)13-15-27)19-30(36)29(18-24-10-7-11-25(33)17-24)35-31(37)20-40-32-22(3)8-6-9-23(32)4/h6-15,17,21,28-30,34,36H,16,18-20H2,1-5H3,(H,35,37)/t28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	370	-36.7	530	n/a	n/a	n/a	n/a	5.5	25
Philipps-Universitat Marburg					Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...				J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8124 (Hydroxyethylene Sulfone 18b | N-((1S,2R,4S)-1-(3-b...) Show SMILES CC(C)C[C@@H](C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C33H43BrN2O5S/c1-22(2)17-29(42(39,40)28-15-13-27(14-16-28)36(5)6)20-31(37)30(19-25-11-8-12-26(34)18-25)35-32(38)21-41-33-23(3)9-7-10-24(33)4/h7-16,18,22,29-31,37H,17,19-21H2,1-6H3,(H,35,38)/t29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	540	-35.8	790	n/a	n/a	n/a	n/a	5.5	25
Philipps-Universitat Marburg					Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...				J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8118 (Hydroxyethylene Sulfone 17b- | N-[(2R,3S,5R)-1-(3-...) Show SMILES CC(C)C[C@H](C[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C31H37BrFNO5S/c1-20(2)15-27(40(37,38)26-13-11-25(33)12-14-26)18-29(35)28(17-23-9-6-10-24(32)16-23)34-30(36)19-39-31-21(3)7-5-8-22(31)4/h5-14,16,20,27-29,35H,15,17-19H2,1-4H3,(H,34,36)/t27-,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	-33.4	2.00E+3	n/a	n/a	n/a	n/a	5.5	25
Philipps-Universitat Marburg					Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...				J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8121 ((2R)-N-[(2S,3R,5S)-1-(3-bromophenyl)-7-(2,4-dichlo...) Show SMILES O[C@H](C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CCCO1 |r| Show InChI InChI=1S/C30H31BrCl2FNO5S/c31-21-4-1-3-19(15-21)16-27(35-30(37)29-5-2-14-40-29)28(36)18-25(11-7-20-6-8-22(32)17-26(20)33)41(38,39)24-12-9-23(34)10-13-24/h1,3-4,6,8-10,12-13,15,17,25,27-29,36H,2,5,7,11,14,16,18H2,(H,35,37)/t25-,27-,28+,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	-31.6	4.20E+3	n/a	n/a	n/a	n/a	5.5	25
Philipps-Universitat Marburg					Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...				J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8120 (2-bromo-N-[(2S,3R,5S)-1-(3-bromophenyl)-7-(2,4-dic...) Show SMILES COc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C34H32Br2Cl2FNO6S/c1-45-32-18-27(28(36)19-33(32)46-2)34(42)40-30(15-20-4-3-5-22(35)14-20)31(41)17-26(11-7-21-6-8-23(37)16-29(21)38)47(43,44)25-12-9-24(39)10-13-25/h3-6,8-10,12-14,16,18-19,26,30-31,41H,7,11,15,17H2,1-2H3,(H,40,42)/t26-,30-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10E+3	-31.4	4.50E+3	n/a	n/a	n/a	n/a	5.5	25
Philipps-Universitat Marburg					Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...				J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8119 (Hydroxyethylene Sulfone 17c | N-[(2S,3R,5S)-1-(3-b...) Show SMILES O[C@H](C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@H](Cc1cccc(Br)c1)NC(=O)COc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C33H29BrCl4FNO5S/c34-22-3-1-2-20(14-22)15-30(40-33(42)19-45-32-13-7-24(36)17-29(32)38)31(41)18-27(10-5-21-4-6-23(35)16-28(21)37)46(43,44)26-11-8-25(39)9-12-26/h1-4,6-9,11-14,16-17,27,30-31,41H,5,10,15,18-19H2,(H,40,42)/t27-,30-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	-29.4	1.00E+4	n/a	n/a	n/a	n/a	5.5	25
Philipps-Universitat Marburg					Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...				J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8122 ((2R)-N-[(2R,3S,5R)-1-(3-bromophenyl)-7-(2,4-dichlo...) Show SMILES O[C@@H](C[C@@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CCCO1 |r| Show InChI InChI=1S/C30H31BrCl2FNO5S/c31-21-4-1-3-19(15-21)16-27(35-30(37)29-5-2-14-40-29)28(36)18-25(11-7-20-6-8-22(32)17-26(20)33)41(38,39)24-12-9-23(34)10-13-24/h1,3-4,6,8-10,12-13,15,17,25,27-29,36H,2,5,7,11,14,16,18H2,(H,35,37)/t25-,27-,28+,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	>-25.1	>4.00E+4	n/a	n/a	n/a	n/a	5.5	25
Philipps-Universitat Marburg					Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...				J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM8116 (Hydroxyethylene Sulfone 17a | N-[(2S,3R,5S)-1-(3-b...) Show SMILES CC(C)CCS(=O)(=O)[C@@H](C)C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)CCS(C)(=O)=O |r| Show InChI InChI=1S/C21H34BrNO6S2/c1-15(2)8-11-31(28,29)16(3)12-20(24)19(14-17-6-5-7-18(22)13-17)23-21(25)9-10-30(4,26)27/h5-7,13,15-16,19-20,24H,8-12,14H2,1-4H3,(H,23,25)/t16-,19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+4	>-25.1	>4.00E+4	n/a	n/a	n/a	n/a	5.5	25
Philipps-Universitat Marburg					Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...				J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM97451 (Aspartyl protease inhibitor, 17) Show SMILES COc1cc(Br)c(OC(=O)N(CC2C[NH2+]C[C@H]2CN(CCc2ccc(Cl)cc2Cl)C(=O)CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cc1OC |r| Show InChI InChI=1S/C41H41BrCl2N4O7/c1-53-36-19-33(42)35(20-37(36)54-2)55-41(52)47(23-26-8-4-3-5-9-26)25-29-22-45-21-28(29)24-46(16-14-27-12-13-30(43)18-34(27)44)38(49)15-17-48-39(50)31-10-6-7-11-32(31)40(48)51/h3-13,18-20,28-29,45H,14-17,21-25H2,1-2H3/p+1/t28-,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM97450 (Aspartyl protease inhibitor, 16) Show SMILES COc1cc(Br)c(OC(=O)N(CC2C[NH2+]C[C@H]2CN(CCc2ccc(Cl)cc2Cl)C(=O)CCCc2ccccc2)Cc2ccccc2)cc1OC |r| Show InChI InChI=1S/C40H44BrCl2N3O5/c1-49-37-21-34(41)36(22-38(37)50-2)51-40(48)46(25-29-12-7-4-8-13-29)27-32-24-44-23-31(32)26-45(19-18-30-16-17-33(42)20-35(30)43)39(47)15-9-14-28-10-5-3-6-11-28/h3-8,10-13,16-17,20-22,31-32,44H,9,14-15,18-19,23-27H2,1-2H3/p+1/t31-,32?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM97447 (Aspartyl protease inhibitor, 13) Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C33H43N3O4S/c1-25(2)20-36(41(38,39)31-16-9-6-10-17-31)23-30-19-34-18-29(30)22-35(21-28-14-7-5-8-15-28)32(37)24-40-33-26(3)12-11-13-27(33)4/h5-17,25,29-30,34H,18-24H2,1-4H3/p+1/t29?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM97448 (Aspartyl protease inhibitor, 14) Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-24(2)19-37(42(39,40)31-15-13-30(34)14-16-31)22-29-18-35-17-28(29)21-36(20-27-11-6-5-7-12-27)32(38)23-41-33-25(3)9-8-10-26(33)4/h5-16,24,28-29,35H,17-23,34H2,1-4H3/p+1/t28?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM97449 (Aspartyl protease inhibitor, 15) Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C34H45N3O4S/c1-25(2)20-37(42(39,40)32-16-14-26(3)15-17-32)23-31-19-35-18-30(31)22-36(21-29-12-7-6-8-13-29)33(38)24-41-34-27(4)10-9-11-28(34)5/h6-17,25,30-31,35H,18-24H2,1-5H3/p+1/t30?,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM97450 (Aspartyl protease inhibitor, 16) Show SMILES COc1cc(Br)c(OC(=O)N(CC2C[NH2+]C[C@H]2CN(CCc2ccc(Cl)cc2Cl)C(=O)CCCc2ccccc2)Cc2ccccc2)cc1OC |r| Show InChI InChI=1S/C40H44BrCl2N3O5/c1-49-37-21-34(41)36(22-38(37)50-2)51-40(48)46(25-29-12-7-4-8-13-29)27-32-24-44-23-31(32)26-45(19-18-30-16-17-33(42)20-35(30)43)39(47)15-9-14-28-10-5-3-6-11-28/h3-8,10-13,16-17,20-22,31-32,44H,9,14-15,18-19,23-27H2,1-2H3/p+1/t31-,32?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 (HIV-1))	BDBM97451 (Aspartyl protease inhibitor, 17) Show SMILES COc1cc(Br)c(OC(=O)N(CC2C[NH2+]C[C@H]2CN(CCc2ccc(Cl)cc2Cl)C(=O)CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cc1OC |r| Show InChI InChI=1S/C41H41BrCl2N4O7/c1-53-36-19-33(42)35(20-37(36)54-2)55-41(52)47(23-26-8-4-3-5-9-26)25-29-22-45-21-28(29)24-46(16-14-27-12-13-30(43)18-34(27)44)38(49)15-17-48-39(50)31-10-6-7-11-32(31)40(48)51/h3-13,18-20,28-29,45H,14-17,21-25H2,1-2H3/p+1/t28-,29?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM97447 (Aspartyl protease inhibitor, 13) Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C33H43N3O4S/c1-25(2)20-36(41(38,39)31-16-9-6-10-17-31)23-30-19-34-18-29(30)22-35(21-28-14-7-5-8-15-28)32(37)24-40-33-26(3)12-11-13-27(33)4/h5-17,25,29-30,34H,18-24H2,1-4H3/p+1/t29?,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM97448 (Aspartyl protease inhibitor, 14) Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-24(2)19-37(42(39,40)31-15-13-30(34)14-16-31)22-29-18-35-17-28(29)21-36(20-27-11-6-5-7-12-27)32(38)23-41-33-25(3)9-8-10-26(33)4/h5-16,24,28-29,35H,17-23,34H2,1-4H3/p+1/t28?,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM97449 (Aspartyl protease inhibitor, 15) Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C34H45N3O4S/c1-25(2)20-37(42(39,40)32-16-14-26(3)15-17-32)23-31-19-35-18-30(31)22-36(21-29-12-7-6-8-13-29)33(38)24-41-34-27(4)10-9-11-28(34)5/h6-17,25,30-31,35H,18-24H2,1-5H3/p+1/t30?,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413916 (US10421756, Compound 100) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2cncnc2C1)-c1ccncc1 Show InChI InChI=1S/C18H16N6O/c19-15-2-1-13(12-3-5-20-6-4-12)7-16(15)23-18(25)24-9-14-8-21-11-22-17(14)10-24/h1-8,11H,9-10,19H2,(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	n/a	<100	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413916 (US10421756, Compound 100) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2cncnc2C1)-c1ccncc1 Show InChI InChI=1S/C18H16N6O/c19-15-2-1-13(12-3-5-20-6-4-12)7-16(15)23-18(25)24-9-14-8-21-11-22-17(14)10-24/h1-8,11H,9-10,19H2,(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	n/a	300	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413917 (US10421756, Compound 101) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2nccnc2C1)-c1ccncc1 Show InChI InChI=1S/C18H16N6O/c19-14-2-1-13(12-3-5-20-6-4-12)9-15(14)23-18(25)24-10-16-17(11-24)22-8-7-21-16/h1-9H,10-11,19H2,(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	n/a	300	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413917 (US10421756, Compound 101) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2nccnc2C1)-c1ccncc1 Show InChI InChI=1S/C18H16N6O/c19-14-2-1-13(12-3-5-20-6-4-12)9-15(14)23-18(25)24-10-16-17(11-24)22-8-7-21-16/h1-9H,10-11,19H2,(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	n/a	<100	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413918 (US10421756, Compound 102) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccncc1 Show InChI InChI=1S/C19H17N5O/c20-17-2-1-14(13-3-6-21-7-4-13)9-18(17)23-19(25)24-11-15-5-8-22-10-16(15)12-24/h1-10H,11-12,20H2,(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	n/a	300	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413918 (US10421756, Compound 102) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccncc1 Show InChI InChI=1S/C19H17N5O/c20-17-2-1-14(13-3-6-21-7-4-13)9-18(17)23-19(25)24-11-15-5-8-22-10-16(15)12-24/h1-10H,11-12,20H2,(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	n/a	<100	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413919 (US10421756, Compound 103) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccncn1 Show InChI InChI=1S/C18H16N6O/c19-15-2-1-12(16-4-6-21-11-22-16)7-17(15)23-18(25)24-9-13-3-5-20-8-14(13)10-24/h1-8,11H,9-10,19H2,(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	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413919 (US10421756, Compound 103) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccncn1 Show InChI InChI=1S/C18H16N6O/c19-15-2-1-12(16-4-6-21-11-22-16)7-17(15)23-18(25)24-9-13-3-5-20-8-14(13)10-24/h1-8,11H,9-10,19H2,(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	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413920 (US10421756, Compound 104) Show SMILES CC(C)(C)OC(=O)N1CC2CC1CN2C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C22H27N5O3/c1-22(2,3)30-21(29)27-13-16-11-17(27)12-26(16)20(28)25-19-10-15(4-5-18(19)23)14-6-8-24-9-7-14/h4-10,16-17H,11-13,23H2,1-3H3,(H,25,28)	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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413920 (US10421756, Compound 104) Show SMILES CC(C)(C)OC(=O)N1CC2CC1CN2C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C22H27N5O3/c1-22(2,3)30-21(29)27-13-16-11-17(27)12-26(16)20(28)25-19-10-15(4-5-18(19)23)14-6-8-24-9-7-14/h4-10,16-17H,11-13,23H2,1-3H3,(H,25,28)	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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413921 (US10421756, Compound 105) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CCC(C1)O2)-c1ccncc1 Show InChI InChI=1S/C18H20N4O2/c19-16-4-1-13(12-5-7-20-8-6-12)9-17(16)21-18(23)22-10-14-2-3-15(11-22)24-14/h1,4-9,14-15H,2-3,10-11,19H2,(H,21,23)	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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413921 (US10421756, Compound 105) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CCC(C1)O2)-c1ccncc1 Show InChI InChI=1S/C18H20N4O2/c19-16-4-1-13(12-5-7-20-8-6-12)9-17(16)21-18(23)22-10-14-2-3-15(11-22)24-14/h1,4-9,14-15H,2-3,10-11,19H2,(H,21,23)	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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413922 (US10421756, Compound 106 | US10421756, Compound 11...) Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:5:7:9.10:13.14.12| Show InChI InChI=1S/C23H29N5O3/c1-23(2,3)31-22(30)28-17-5-6-18(28)14-27(13-17)21(29)26-20-12-16(4-7-19(20)24)15-8-10-25-11-9-15/h4,7-12,17-18H,5-6,13-14,24H2,1-3H3,(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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413922 (US10421756, Compound 106 | US10421756, Compound 11...) Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:5:7:9.10:13.14.12| Show InChI InChI=1S/C23H29N5O3/c1-23(2,3)31-22(30)28-17-5-6-18(28)14-27(13-17)21(29)26-20-12-16(4-7-19(20)24)15-8-10-25-11-9-15/h4,7-12,17-18H,5-6,13-14,24H2,1-3H3,(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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413923 (US10421756, Compound 107 | US10421756, Compound 10...) Show SMILES CC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:1:3:5.6:9.10.8| Show InChI InChI=1S/C20H23N5O2/c1-13(26)25-16-3-4-17(25)12-24(11-16)20(27)23-19-10-15(2-5-18(19)21)14-6-8-22-9-7-14/h2,5-10,16-17H,3-4,11-12,21H2,1H3,(H,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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413923 (US10421756, Compound 107 | US10421756, Compound 10...) Show SMILES CC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:1:3:5.6:9.10.8| Show InChI InChI=1S/C20H23N5O2/c1-13(26)25-16-3-4-17(25)12-24(11-16)20(27)23-19-10-15(2-5-18(19)21)14-6-8-22-9-7-14/h2,5-10,16-17H,3-4,11-12,21H2,1H3,(H,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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413924 (US10421756, Compound 108) Show SMILES CC(=O)N1CC2CC1CN2C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C19H21N5O2/c1-12(25)23-10-16-9-15(23)11-24(16)19(26)22-18-8-14(2-3-17(18)20)13-4-6-21-7-5-13/h2-8,15-16H,9-11,20H2,1H3,(H,22,26)	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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413924 (US10421756, Compound 108) Show SMILES CC(=O)N1CC2CC1CN2C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C19H21N5O2/c1-12(25)23-10-16-9-15(23)11-24(16)19(26)22-18-8-14(2-3-17(18)20)13-4-6-21-7-5-13/h2-8,15-16H,9-11,20H2,1H3,(H,22,26)	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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413923 (US10421756, Compound 107 | US10421756, Compound 10...) Show SMILES CC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:1:3:5.6:9.10.8| Show InChI InChI=1S/C20H23N5O2/c1-13(26)25-16-3-4-17(25)12-24(11-16)20(27)23-19-10-15(2-5-18(19)21)14-6-8-22-9-7-14/h2,5-10,16-17H,3-4,11-12,21H2,1H3,(H,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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413923 (US10421756, Compound 107 | US10421756, Compound 10...) Show SMILES CC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:1:3:5.6:9.10.8| Show InChI InChI=1S/C20H23N5O2/c1-13(26)25-16-3-4-17(25)12-24(11-16)20(27)23-19-10-15(2-5-18(19)21)14-6-8-22-9-7-14/h2,5-10,16-17H,3-4,11-12,21H2,1H3,(H,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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413922 (US10421756, Compound 106 | US10421756, Compound 11...) Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:5:7:9.10:13.14.12| Show InChI InChI=1S/C23H29N5O3/c1-23(2,3)31-22(30)28-17-5-6-18(28)14-27(13-17)21(29)26-20-12-16(4-7-19(20)24)15-8-10-25-11-9-15/h4,7-12,17-18H,5-6,13-14,24H2,1-3H3,(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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413922 (US10421756, Compound 106 | US10421756, Compound 11...) Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:5:7:9.10:13.14.12| Show InChI InChI=1S/C23H29N5O3/c1-23(2,3)31-22(30)28-17-5-6-18(28)14-27(13-17)21(29)26-20-12-16(4-7-19(20)24)15-8-10-25-11-9-15/h4,7-12,17-18H,5-6,13-14,24H2,1-3H3,(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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413927 (US10421756, Compound 111) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CCC(C1)O2)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN3O2/c20-14-4-1-12(2-5-14)13-3-8-17(21)18(9-13)22-19(24)23-10-15-6-7-16(11-23)25-15/h1-5,8-9,15-16H,6-7,10-11,21H2,(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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413927 (US10421756, Compound 111) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CCC(C1)O2)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN3O2/c20-14-4-1-12(2-5-14)13-3-8-17(21)18(9-13)22-19(24)23-10-15-6-7-16(11-23)25-15/h1-5,8-9,15-16H,6-7,10-11,21H2,(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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413928 (US10421756, Compound 112) Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 |TLB:5:7:9.10:13.14.12| Show InChI InChI=1S/C24H29FN4O3/c1-24(2,3)32-23(31)29-18-9-10-19(29)14-28(13-18)22(30)27-21-12-16(6-11-20(21)26)15-4-7-17(25)8-5-15/h4-8,11-12,18-19H,9-10,13-14,26H2,1-3H3,(H,27,30)	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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413928 (US10421756, Compound 112) Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 |TLB:5:7:9.10:13.14.12| Show InChI InChI=1S/C24H29FN4O3/c1-24(2,3)32-23(31)29-18-9-10-19(29)14-28(13-18)22(30)27-21-12-16(6-11-20(21)26)15-4-7-17(25)8-5-15/h4-8,11-12,18-19H,9-10,13-14,26H2,1-3H3,(H,27,30)	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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413929 (US10421756, Compound 113) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CCC(C1)N2)-c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN4O/c20-14-4-1-12(2-5-14)13-3-8-17(21)18(9-13)23-19(25)24-10-15-6-7-16(11-24)22-15/h1-5,8-9,15-16,22H,6-7,10-11,21H2,(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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413929 (US10421756, Compound 113) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CCC(C1)N2)-c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN4O/c20-14-4-1-12(2-5-14)13-3-8-17(21)18(9-13)23-19(25)24-10-15-6-7-16(11-24)22-15/h1-5,8-9,15-16,22H,6-7,10-11,21H2,(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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413930 (US10421756, Compound 114) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CNCC2C1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN4O/c20-16-4-1-12(2-5-16)13-3-6-17(21)18(7-13)23-19(25)24-10-14-8-22-9-15(14)11-24/h1-7,14-15,22H,8-11,21H2,(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	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413930 (US10421756, Compound 114) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CNCC2C1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN4O/c20-16-4-1-12(2-5-16)13-3-6-17(21)18(7-13)23-19(25)24-10-14-8-22-9-15(14)11-24/h1-7,14-15,22H,8-11,21H2,(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	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM413931 (US10421756, Compound 115) Show SMILES CN1CC2CN(CC2C1=O)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C19H21N5O2/c1-23-9-14-10-24(11-15(14)18(23)25)19(26)22-17-8-13(2-3-16(17)20)12-4-6-21-7-5-12/h2-8,14-15H,9-11,20H2,1H3,(H,22,26)	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	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair

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