Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50018533   

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
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50609278 (CHEMBL5272926) Show SMILES CCCCCCCN(C)Cc1ccc(cc1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158830 (CHEMBL3785583) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50481825 (CHEMBL5277258) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H13N3O4S/c15-22(20,21)13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17(18)19/h1-8,10H,9H2,(H2,15,20,21)/b16-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50481825 (CHEMBL5277258) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H13N3O4S/c15-22(20,21)13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17(18)19/h1-8,10H,9H2,(H2,15,20,21)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50540061 (CHEMBL4637168) Show SMILES CCOC(=O)c1c(O)c2ccncc2[nH]c1=O Show InChI InChI=1S/C11H10N2O4/c1-2-17-11(16)8-9(14)6-3-4-12-5-7(6)13-10(8)15/h3-5H,2H2,1H3,(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158830 (CHEMBL3785583) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50481821 (CHEMBL5277129) Show SMILES COc1ccccc1\C=N\c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H14N2O3S/c1-19-14-5-3-2-4-11(14)10-16-12-6-8-13(9-7-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50609284 (CHEMBL5273040) Show SMILES C[C@@H](O\C(C=C)=c1/c2CCCc2c(=O)oc1=C)C(=O)NCC(=O)NCC(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50609274 (CHEMBL5287501) Show SMILES CC(C)(CNC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1)N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50609274 (CHEMBL5287501) Show SMILES CC(C)(CNC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM281062 (US10022354, Example 2) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)c1cc(cc(C)n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C21H26N6O/c1-13(2)18-9-20(25-24-18)21(28)27-6-5-15(12-27)19-8-16(7-14(3)23-19)17-10-22-26(4)11-17/h7-11,13,15H,5-6,12H2,1-4H3,(H,24,25)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50609277 (CHEMBL5273968) Show SMILES CC(C)c1cc([nH]n1)C(=O)NCC(N1CCOCC1)c1ccccc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 6B (Homo sapiens (Human))	BDBM60875 (3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...) Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50481821 (CHEMBL5277129) Show SMILES COc1ccccc1\C=N\c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H14N2O3S/c1-19-14-5-3-2-4-11(14)10-16-12-6-8-13(9-7-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281089 (US10022354, Example 29) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50483926 (CHEMBL5285505) Show SMILES [H][C@@]1(O[C@@H]2\C=C(C)\C\C=C(C)\C(=O)O[C@@H]([C@@H](C)\C=C\C=C(C)\[C@@H](OC)[C@@H](C)[C@H](O)\C=C\C(\C)=C/C(/CO)=C\[C@@H]2C)c2csc(n2)[C@H](CC(C)C)OC(=O)NC)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,c:4,8,19,32,36,t:17,29| Show InChI InChI=1S/C48H72N2O13S/c1-26(2)19-38(62-48(58)49-10)45-50-35(25-64-45)44-30(6)14-12-13-29(5)43(59-11)33(9)36(53)18-16-27(3)20-34(23-51)22-32(8)37(21-28(4)15-17-31(7)46(57)63-44)60-47-42(56)41(55)40(54)39(24-52)61-47/h12-14,16-18,20-22,25-26,30,32-33,36-44,47,51-56H,15,19,23-24H2,1-11H3,(H,49,58)/b14-12+,18-16+,27-20-,28-21+,29-13+,31-17+,34-22+/t30-,32-,33-,36+,37+,38-,39+,40+,41-,42+,43+,44-,47+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM281089 (US10022354, Example 29) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50253041 (CHEMBL4059597) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CCC(C1)NC(=O)C1CCC1 Show InChI InChI=1S/C16H24N4O2/c1-10(2)13-8-14(19-18-13)16(22)20-7-6-12(9-20)17-15(21)11-4-3-5-11/h8,10-12H,3-7,9H2,1-2H3,(H,17,21)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50483926 (CHEMBL5285505) Show SMILES [H][C@@]1(O[C@@H]2\C=C(C)\C\C=C(C)\C(=O)O[C@@H]([C@@H](C)\C=C\C=C(C)\[C@@H](OC)[C@@H](C)[C@H](O)\C=C\C(\C)=C/C(/CO)=C\[C@@H]2C)c2csc(n2)[C@H](CC(C)C)OC(=O)NC)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,c:4,8,19,32,36,t:17,29| Show InChI InChI=1S/C48H72N2O13S/c1-26(2)19-38(62-48(58)49-10)45-50-35(25-64-45)44-30(6)14-12-13-29(5)43(59-11)33(9)36(53)18-16-27(3)20-34(23-51)22-32(8)37(21-28(4)15-17-31(7)46(57)63-44)60-47-42(56)41(55)40(54)39(24-52)61-47/h12-14,16-18,20-22,25-26,30,32-33,36-44,47,51-56H,15,19,23-24H2,1-11H3,(H,49,58)/b14-12+,18-16+,27-20-,28-21+,29-13+,31-17+,34-22+/t30-,32-,33-,36+,37+,38-,39+,40+,41-,42+,43+,44-,47+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem		n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM281089 (US10022354, Example 29) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50158830 (CHEMBL3785583) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281243 (US10022354, Example 183) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C18H22N4O2/c1-12(2)15-10-16(21-20-15)18(24)22-9-8-14(11-22)19-17(23)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,19,23)(H,20,21)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50609272 (CHEMBL5268189) Show SMILES OC(=O)c1ccnc(NCc2cccc(F)c2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50609272 (CHEMBL5268189) Show SMILES OC(=O)c1ccnc(NCc2cccc(F)c2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50609272 (CHEMBL5268189) Show SMILES OC(=O)c1ccnc(NCc2cccc(F)c2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281062 (US10022354, Example 2) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)c1cc(cc(C)n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C21H26N6O/c1-13(2)18-9-20(25-24-18)21(28)27-6-5-15(12-27)19-8-16(7-14(3)23-19)17-10-22-26(4)11-17/h7-11,13,15H,5-6,12H2,1-4H3,(H,24,25)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281062 (US10022354, Example 2) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)c1cc(cc(C)n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C21H26N6O/c1-13(2)18-9-20(25-24-18)21(28)27-6-5-15(12-27)19-8-16(7-14(3)23-19)17-10-22-26(4)11-17/h7-11,13,15H,5-6,12H2,1-4H3,(H,24,25)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM60875 (3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...) Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50609283 (CHEMBL1440422) Show SMILES Cc1ccc(cc1)-c1cn2cc(C)ccc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50609279 (CHEMBL5276550) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(OCCN1CCCCC1)c1cc2nccc(C(O)=O)c2[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50498665 (CHEMBL1982368) Show SMILES Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1 Show InChI InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281138 (US10022354, Example 78) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1 Show InChI InChI=1S/C21H26N6O/c1-13(2)18-9-20(25-24-18)21(28)27-6-5-15(12-27)19-8-16(7-14(3)23-19)17-10-22-26(4)11-17/h7-11,13,15H,5-6,12H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281138 (US10022354, Example 78) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1 Show InChI InChI=1S/C21H26N6O/c1-13(2)18-9-20(25-24-18)21(28)27-6-5-15(12-27)19-8-16(7-14(3)23-19)17-10-22-26(4)11-17/h7-11,13,15H,5-6,12H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50609279 (CHEMBL5276550) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(OCCN1CCCCC1)c1cc2nccc(C(O)=O)c2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50609279 (CHEMBL5276550) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(OCCN1CCCCC1)c1cc2nccc(C(O)=O)c2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM50498665 (CHEMBL1982368) Show SMILES Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1 Show InChI InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50481825 (CHEMBL5277258) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H13N3O4S/c15-22(20,21)13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17(18)19/h1-8,10H,9H2,(H2,15,20,21)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	571	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281061 ((S)-(3-Isopropyl-1H-pyrazol-5-yl)(3-(6-methyl-4-(1...) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)c1cc(cc(C)n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C21H26N6O/c1-13(2)18-9-20(25-24-18)21(28)27-6-5-15(12-27)19-8-16(7-14(3)23-19)17-10-22-26(4)11-17/h7-11,13,15H,5-6,12H2,1-4H3,(H,24,25)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
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