Compile Data Set for Download or QSAR

Found 3540 hits with Last Name = 'hattori' and Initial = 'y'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50452874 (CHEMBL4217620) Show SMILES CO[C@H]1CC[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:13.15,5.4,wD:2.1,c:20,t:16,(42.8,-16.77,;41.71,-15.68,;40.22,-16.08,;39.13,-14.99,;37.64,-15.39,;37.25,-16.87,;37.1,-18.41,;35.59,-18.75,;34.81,-20.09,;33.28,-20.09,;32.51,-18.75,;33.27,-17.42,;34.81,-17.41,;35.84,-16.25,;34.46,-15.55,;34.7,-14.03,;33.6,-12.94,;36.22,-13.78,;36.92,-12.4,;36.93,-15.15,;30.97,-18.75,;30.21,-17.42,;28.66,-17.43,;27.9,-18.76,;28.67,-20.08,;30.21,-20.08,;27.9,-21.41,;27.12,-22.74,;26.34,-24.06,;38.34,-17.96,;39.82,-17.56,)| Show InChI InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25+,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human recombinant BACE-1 (1 to 460 residue) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116459 BindingDB Entry DOI: 10.7270/Q2057KSB
					More data for this Ligand-Target Pair
REST corepressor 1 (Homo sapiens (Human))	BDBM50410785 (CHEMBL5291155) Show SMILES C\C(CCCN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCN1CCOCC1 Show InChI InChI=1S/C33H39F6N5O3/c1-23(41-47-16-13-42-11-14-46-15-12-42)5-4-8-43-9-10-44(28(22-43)19-25-21-40-30-7-3-2-6-29(25)30)31(45)24-17-26(32(34,35)36)20-27(18-24)33(37,38)39/h2-3,6-7,17-18,20-21,28,40H,4-5,8-16,19,22H2,1H3/b41-23-/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against FAAH in Wistar rat brain homogenate				Citation and Details
					More data for this Ligand-Target Pair
REST corepressor 1 (Homo sapiens (Human))	BDBM50410784 (CHEMBL5280566) Show SMILES CN(C)CCO\N=C(\C)CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H33F6N5O2/c1-19(37-42-11-10-38(2)3)17-39-8-9-40(24(18-39)14-21-16-36-26-7-5-4-6-25(21)26)27(41)20-12-22(28(30,31)32)15-23(13-20)29(33,34)35/h4-7,12-13,15-16,24,36H,8-11,14,17-18H2,1-3H3/b37-19-/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against FAAH in Wistar rat brain homogenate				Citation and Details
					More data for this Ligand-Target Pair
REST corepressor 1 (Homo sapiens (Human))	BDBM50410789 (CHEMBL5277056) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(CC2=NOC(CN3CCOCC3)C2)C[C@H]1Cc1c[nH]c2ccccc12 |t:22| Show InChI InChI=1S/C31H33F6N5O3/c32-30(33,34)22-11-20(12-23(14-22)31(35,36)37)29(43)42-6-5-41(17-24-15-26(45-39-24)19-40-7-9-44-10-8-40)18-25(42)13-21-16-38-28-4-2-1-3-27(21)28/h1-4,11-12,14,16,25-26,38H,5-10,13,15,17-19H2/t25-,26?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against FAAH in Wistar rat brain homogenate				Citation and Details
					More data for this Ligand-Target Pair
REST corepressor 1 (Homo sapiens (Human))	BDBM50410788 (CHEMBL5281376) Show SMILES C\C(CCN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCN1CCOCC1 Show InChI InChI=1S/C32H37F6N5O3/c1-22(40-46-15-12-41-10-13-45-14-11-41)6-7-42-8-9-43(27(21-42)18-24-20-39-29-5-3-2-4-28(24)29)30(44)23-16-25(31(33,34)35)19-26(17-23)32(36,37)38/h2-5,16-17,19-20,27,39H,6-15,18,21H2,1H3/b40-22-/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against FAAH in Wistar rat brain homogenate				Citation and Details
					More data for this Ligand-Target Pair
REST corepressor 1 (Homo sapiens (Human))	BDBM50410786 (CHEMBL5270114) Show SMILES C\C(CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCN1CCOCC1 Show InChI InChI=1S/C31H35F6N5O3/c1-21(39-45-13-10-40-8-11-44-12-9-40)19-41-6-7-42(26(20-41)16-23-18-38-28-5-3-2-4-27(23)28)29(43)22-14-24(30(32,33)34)17-25(15-22)31(35,36)37/h2-5,14-15,17-18,26,38H,6-13,16,19-20H2,1H3/b39-21-/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against FAAH in Wistar rat brain homogenate				Citation and Details
					More data for this Ligand-Target Pair
REST corepressor 1 (Homo sapiens (Human))	BDBM50410787 (CHEMBL5270703) Show SMILES CO\N=C(\C)CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H26F6N4O2/c1-16(34-38-2)14-35-7-8-36(21(15-35)11-18-13-33-23-6-4-3-5-22(18)23)24(37)17-9-19(25(27,28)29)12-20(10-17)26(30,31)32/h3-6,9-10,12-13,21,33H,7-8,11,14-15H2,1-2H3/b34-16-/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against FAAH in Wistar rat brain homogenate				Citation and Details
					More data for this Ligand-Target Pair
Chymotrypsin-like protease CTRL-1 (Homo sapiens (Human))	BDBM50484478 (CHEMBL1929019 | jm5b01461, Compound 47) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C=O |r| Show InChI InChI=1S/C28H45N7O7/c1-16(2)24(35-25(39)17(3)31-27(41)23(14-37)32-18(4)38)28(42)34-22(10-19-8-6-5-7-9-19)26(40)33-21(13-36)11-20-12-29-15-30-20/h12-13,15-17,19,21-24,37H,5-11,14H2,1-4H3,(H,29,30)(H,31,41)(H,32,38)(H,33,40)(H,34,42)(H,35,39)/t17-,21-,22-,23-,24-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like protease R188I mutant using peptide substrate SO1 measured after 60 mins by HPLC analysis				J Med Chem 54: 7962-73 (2011) Article DOI: 10.1021/jm200870n BindingDB Entry DOI: 10.7270/Q29G5QNB
					More data for this Ligand-Target Pair
Chymotrypsin-like protease CTRL-1 (Homo sapiens (Human))	BDBM50484484 (CHEMBL1929023) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C=O |r| Show InChI InChI=1S/C26H42N6O6/c1-15(2)22(32-26(38)23(16(3)34)29-17(4)35)25(37)31-21(10-18-8-6-5-7-9-18)24(36)30-20(13-33)11-19-12-27-14-28-19/h12-16,18,20-23,34H,5-11H2,1-4H3,(H,27,28)(H,29,35)(H,30,36)(H,31,37)(H,32,38)/t16-,20+,21+,22+,23+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like protease R188I mutant using peptide substrate SO1 measured after 60 mins by HPLC analysis				J Med Chem 54: 7962-73 (2011) Article DOI: 10.1021/jm200870n BindingDB Entry DOI: 10.7270/Q29G5QNB
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256723 (US10053456, 110 | US10414761, Example 110 | US1096...) Show SMILES OC(=O)c1ccc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)cc1 |r| Show InChI InChI=1S/C22H24F2N2O3S/c23-22(24)7-5-16(6-8-22)26-20(27)15-9-19(30-12-15)17-10-18(17)25-11-13-1-3-14(4-2-13)21(28)29/h1-4,9,12,16-18,25H,5-8,10-11H2,(H,26,27)(H,28,29)/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256724 (US10053456, 111 | US10414761, Example 111 | US1096...) Show SMILES Nc1nnc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)o1 |r| Show InChI InChI=1S/C17H21F2N5O2S/c18-17(19)3-1-10(2-4-17)22-15(25)9-5-13(27-8-9)11-6-12(11)21-7-14-23-24-16(20)26-14/h5,8,10-12,21H,1-4,6-7H2,(H2,20,24)(H,22,25)/t11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM244027 (5-((1R,2R)-2- ((cyclobutylmethyl)- amino)cycloprop...) Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCC1 |r| Show InChI InChI=1S/C18H26N2O2S/c21-18(20-14-4-6-22-7-5-14)13-8-17(23-11-13)15-9-16(15)19-10-12-2-1-3-12/h8,11-12,14-16,19H,1-7,9-10H2,(H,20,21)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50153586 (CHEMBL3775474 | US10053456, 120 | US10414761, Exam...) Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1 |r| Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50153586 (CHEMBL3775474 | US10053456, 120 | US10414761, Exam...) Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1 |r| Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50153586 (CHEMBL3775474 | US10053456, 120 | US10414761, Exam...) Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1 |r| Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50153586 (CHEMBL3775474 | US10053456, 120 | US10414761, Exam...) Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1 |r| Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50153593 (CHEMBL3775351 | US10053456, 123 | US10414761, Exam...) Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r| Show InChI InChI=1S/C17H22N4OS/c1-10-13(14-6-15(14)19-11-4-3-5-11)7-16(23-10)17(22)20-12-8-18-21(2)9-12/h7-9,11,14-15,19H,3-6H2,1-2H3,(H,20,22)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256729 (US10053456, 125 | US10414761, Example 125 | US1096...) Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@@H]1NCC1CC1 |r| Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256644 (US10053456, 23 | US10414761, Example 23 | US109682...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CC2)s1 Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)10-4-13(21-7-10)11-5-12(11)16-6-9-2-3-9/h4,7,9,11-12,16H,2-3,5-6H2,1H3,(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US10053456 (2018) BindingDB Entry DOI: 10.7270/Q23J3FZ4
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM338592 (4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...) Show SMILES O=C(NCC(N1CCOCC1)c1ccccc1)c1ccc(cc1)C1CC1NCC1CC1 Show InChI InChI=1S/C26H33N3O2/c30-26(22-10-8-20(9-11-22)23-16-24(23)27-17-19-6-7-19)28-18-25(21-4-2-1-3-5-21)29-12-14-31-15-13-29/h1-5,8-11,19,23-25,27H,6-7,12-18H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...				US Patent US9751885 (2017) BindingDB Entry DOI: 10.7270/Q22V2J7C
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM256652 (US10053456, 31 | US10414761, Example 31 | US109682...) Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C19H26F2N2O2S/c20-19(21)5-1-13(2-6-19)23-18(24)12-9-17(26-11-12)15-10-16(15)22-14-3-7-25-8-4-14/h9,11,13-16,22H,1-8,10H2,(H,23,24)	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM256660 (US9487511, 39) Show SMILES O=C(NC1CCCC1)c1csc(c1)[C@@H]1C[C@@H]1NC1CCOCC1 |r| Show InChI InChI=1S/C18H26N2O2S/c21-18(20-13-3-1-2-4-13)12-9-17(23-11-12)15-10-16(15)19-14-5-7-22-8-6-14/h9,11,13-16,19H,1-8,10H2,(H,20,21)/t15-,16+/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM256665 (US9487511, 44) Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NC1CCOCC1 |r| Show InChI InChI=1S/C19H26F2N2O2S/c20-19(21)5-1-13(2-6-19)23-18(24)12-9-17(26-11-12)15-10-16(15)22-14-3-7-25-8-4-14/h9,11,13-16,22H,1-8,10H2,(H,23,24)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM256669 (US9487511, 48) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r| Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM256673 (US9487511, 52) Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1csc(c1)[C@H]1C[C@H]1NCC1CCOCC1 |r| Show InChI InChI=1S/C21H30F3N3O2S/c22-21(23,24)13-27-5-1-16(2-6-27)26-20(28)15-9-19(30-12-15)17-10-18(17)25-11-14-3-7-29-8-4-14/h9,12,14,16-18,25H,1-8,10-11,13H2,(H,26,28)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM256707 (US10053456, 89 | US10414761, Example 89 | US948751...) Show SMILES Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)cn1 |r| Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)/t13-,14+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM50153590 (CHEMBL3774809 | US10053456, 97 | US10414761, Examp...) Show SMILES Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)c(C)s2)s1 |r| Show InChI InChI=1S/C18H24N4O2S2/c1-10-13(14-7-15(14)19-9-12-3-5-24-6-4-12)8-16(25-10)17(23)20-18-22-21-11(2)26-18/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM256723 (US10053456, 110 | US10414761, Example 110 | US1096...) Show SMILES OC(=O)c1ccc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)cc1 |r| Show InChI InChI=1S/C22H24F2N2O3S/c23-22(24)7-5-16(6-8-22)26-20(27)15-9-19(30-12-15)17-10-18(17)25-11-13-1-3-14(4-2-13)21(28)29/h1-4,9,12,16-18,25H,5-8,10-11H2,(H,26,27)(H,28,29)/t17-,18-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM65037 (BDBM65038 | US9487511, 71) Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1 |r| Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833] (Homo sapiens (Human))	BDBM50153593 (CHEMBL3775351 | US10053456, 123 | US10414761, Exam...) Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r| Show InChI InChI=1S/C17H22N4OS/c1-10-13(14-6-15(14)19-11-4-3-5-11)7-16(23-10)17(22)20-12-8-18-21(2)9-12/h7-9,11,14-15,19H,3-6H2,1-2H3,(H,20,22)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	8.0	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...				US Patent US9487511 (2016) BindingDB Entry DOI: 10.7270/Q2V123Q4
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243411 (5-((1R,2R)-2-(cis- (4-aminocyclohexyl)- amino)cycl...) Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r,wU:10.12,wD:8.8,(10.25,-.24,;8.76,-.64,;8.36,-2.13,;6.87,-2.53,;5.78,-1.44,;6.18,.05,;7.67,.45,;4.3,-1.84,;3.21,-.75,;2.12,-1.84,;1.72,-.35,;.39,.42,;-1.08,-.05,;-1.98,1.19,;-1.08,2.44,;.39,1.96,;-3.52,1.19,;-4.29,2.53,;-4.29,-.14,;-5.83,-.14,;-6.6,1.19,;-8.14,1.19,;-8.91,-.14,;-10.25,.63,;-10.25,-.91,;-8.14,-1.48,;-6.6,-1.48,)| Show InChI InChI=1S/C20H29F2N3OS/c21-20(22)7-5-15(6-8-20)25-19(26)12-9-18(27-11-12)16-10-17(16)24-14-3-1-13(23)2-4-14/h9,11,13-17,24H,1-8,10,23H2,(H,25,26)/t13?,14?,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243413 (5-((1R,2R)-2-((4,4- difluorocyclohexyl)- amino)cyc...) Show SMILES FC1(F)CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCOCC1 |r| Show InChI InChI=1S/C19H26F2N2O2S/c20-19(21)5-1-13(2-6-19)22-16-10-15(16)17-9-12(11-26-17)18(24)23-14-3-7-25-8-4-14/h9,11,13-16,22H,1-8,10H2,(H,23,24)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243414 (5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r| Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243415 (N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2-...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r| Show InChI InChI=1S/C16H20N4O2S2/c1-9-19-20-16(24-9)18-15(21)10-6-14(23-8-10)12-7-13(12)17-11-2-4-22-5-3-11/h6,8,11-13,17H,2-5,7H2,1H3,(H,18,20,21)/t12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243415 (N-(5-methyl-1,3,4- thiadiazol-2-yl)-5- ((1R,2R)-2-...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r| Show InChI InChI=1S/C16H20N4O2S2/c1-9-19-20-16(24-9)18-15(21)10-6-14(23-8-10)12-7-13(12)17-11-2-4-22-5-3-11/h6,8,11-13,17H,2-5,7H2,1H3,(H,18,20,21)/t12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243417 (N-(4,4- difluorocyclohexyl)- 5-((1R,2R)-2- ((tetra...) Show SMILES FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r| Show InChI InChI=1S/C20H28F2N2O2S/c21-20(22)5-1-15(2-6-20)24-19(25)14-9-18(27-12-14)16-10-17(16)23-11-13-3-7-26-8-4-13/h9,12-13,15-17,23H,1-8,10-11H2,(H,24,25)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243418 (5-((1R,2R)-2- ((tetrahydro-2H- pyran-4-ylmethyl)- ...) Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r| Show InChI InChI=1S/C21H30F3N3O2S/c22-21(23,24)13-27-5-1-16(2-6-27)26-20(28)15-9-19(30-12-15)17-10-18(17)25-11-14-3-7-29-8-4-14/h9,12,14,16-18,25H,1-8,10-11,13H2,(H,26,28)/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243419 (N-(2-methyl-1,3- thiazol-5-yl)-5- ((1R,2R)-2- ((te...) Show SMILES Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r| Show InChI InChI=1S/C18H23N3O2S2/c1-11-19-9-17(25-11)21-18(22)13-6-16(24-10-13)14-7-15(14)20-8-12-2-4-23-5-3-12/h6,9-10,12,14-15,20H,2-5,7-8H2,1H3,(H,21,22)/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243420 (N-(1,3-dimethyl-1H- pyrazol-4-yl)-5- ((1R,2R)-2- (...) Show SMILES Cc1nn(C)cc1NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r| Show InChI InChI=1S/C19H26N4O2S/c1-12-17(10-23(2)22-12)21-19(24)14-7-18(26-11-14)15-8-16(15)20-9-13-3-5-25-6-4-13/h7,10-11,13,15-16,20H,3-6,8-9H2,1-2H3,(H,21,24)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243421 (N-(1,5-dimethyl-1H- pyrazol-4-yl)-5- ((1R,2R)-2- (...) Show SMILES Cc1c(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)cnn1C |r| Show InChI InChI=1S/C19H26N4O2S/c1-12-17(10-21-23(12)2)22-19(24)14-7-18(26-11-14)15-8-16(15)20-9-13-3-5-25-6-4-13/h7,10-11,13,15-16,20H,3-6,8-9H2,1-2H3,(H,22,24)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256677 (US10053456, 56 | US10414761, Example 56 | US109682...) Show SMILES O=C(NC1CC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r| Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-1-2-13)12-7-16(22-10-12)14-8-15(14)18-9-11-3-5-21-6-4-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256679 (US10053456, 58 | US10414761, Example 58 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CCOCC2)s1 Show InChI InChI=1S/C17H22N4O2S2/c1-10-20-21-17(25-10)19-16(22)15-6-12(9-24-15)13-7-14(13)18-8-11-2-4-23-5-3-11/h6,9,11,13-14,18H,2-5,7-8H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256680 (US10053456, 59 | US10414761, Example 59 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(cs2)C2CC2NC2CCN(CC2)C2CC2)s1 Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)17-8-12(10-26-17)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243426 (3-(4-((((1R,2R)-2- (4-((5-methyl-1,3,4- thiadiazol...) Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCN(CCC(O)=O)CC2)s1 |r| Show InChI InChI=1S/C20H27N5O3S2/c1-12-23-24-20(30-12)22-19(28)14-8-17(29-11-14)15-9-16(15)21-10-13-2-5-25(6-3-13)7-4-18(26)27/h8,11,13,15-16,21H,2-7,9-10H2,1H3,(H,26,27)(H,22,24,28)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM243427 (4-(trans-2- (cyclobutylamino)- cyclopropyl)-N-(1- ...) Show SMILES Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1 Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256683 (US10053456, 62 | US10414761, Example 62 | US109682...) Show SMILES Cn1cc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)cn1 Show InChI InChI=1S/C16H20N4OS/c1-20-8-12(7-18-20)19-16(21)15-4-11(9-22-15)13-5-14(13)17-6-10-2-3-10/h4,7-10,13-14,17H,2-3,5-6H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256686 (US10053456, 65 | US10414761, Example 65 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CC1 Show InChI InChI=1S/C19H26F2N2OS/c1-11-14(18(24)23-13-4-6-19(20,21)7-5-13)9-17(25-11)15-8-16(15)22-10-12-2-3-12/h9,12-13,15-16,22H,2-8,10H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256687 (US10053456, 66 | US10414761, Example 66 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CCOCC1 Show InChI InChI=1S/C21H30F2N2O2S/c1-13-16(20(26)25-15-2-6-21(22,23)7-3-15)11-19(28-13)17-10-18(17)24-12-14-4-8-27-9-5-14/h11,14-15,17-18,24H,2-10,12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256688 (US10053456, 67 | US10414761, Example 67 | US109682...) Show SMILES Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1 Show InChI InChI=1S/C20H28F2N2O2S/c1-12-15(19(25)24-13-2-6-20(21,22)7-3-13)11-18(27-12)16-10-17(16)23-14-4-8-26-9-5-14/h11,13-14,16-17,23H,2-10H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM256690 (US10053456, 69 | US10414761, Example 69 | US109682...) Show SMILES Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CC2)s1 Show InChI InChI=1S/C16H20N4OS2/c1-8-11(15(21)18-16-20-19-9(2)23-16)6-14(22-8)12-5-13(12)17-7-10-3-4-10/h6,10,12-13,17H,3-5,7H2,1-2H3,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...				US Patent US10968213 (2021) BindingDB Entry DOI: 10.7270/Q2542RQT
					More data for this Ligand-Target Pair

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