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Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'perry' and Initial = 'gs'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM589235
PNG
(US11555009, Compound 15 | US11555009, Compound 29)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(O)=O)c(Cl)c1
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Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50485565
PNG
(CHEMBL465179)
Show SMILES CN(C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
Show InChI InChI=1S/C8H12ClN7O/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12/h1-2H3,(H2,10,14)(H4,11,12,15,17)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM85848
PNG
(CAS_172307 | Fiduxosin | NSC_172307)
Show SMILES COc1cccc2OCC3CN(CCCCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)CC3c12
Show InChI InChI=1S/C30H29N5O4S/c1-38-22-10-7-11-23-24(22)20-16-34(15-19(20)17-39-23)12-5-6-13-35-29(36)27-25(33-30(35)37)26-28(40-27)31-14-21(32-26)18-8-3-2-4-9-18/h2-4,7-11,14,19-20H,5-6,12-13,15-17H2,1H3,(H,33,37)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417150
PNG
(CHEMBL4461072)
Show SMILES O=C(NC1CCCCC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C15H17N3O/c19-15(17-11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)18-14/h4-5,8-11H,1-3,6-7H2,(H,17,19)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417861
PNG
(CHEMBL4435048)
Show SMILES CCOc1nc2ccccc2nc1C(=O)NCCN(CC)CC
Show InChI InChI=1S/C17H24N4O2/c1-4-21(5-2)12-11-18-16(22)15-17(23-6-3)20-14-10-8-7-9-13(14)19-15/h7-10H,4-6,11-12H2,1-3H3,(H,18,22)
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Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417859
PNG
(CHEMBL5268705)
Show SMILES CCOc1nc2ccccc2nc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C16H14N4O2/c1-2-22-16-14(15(21)18-11-6-5-9-17-10-11)19-12-7-3-4-8-13(12)20-16/h3-10H,2H2,1H3,(H,18,21)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50596053
PNG
(CHEMBL5173876)
Show SMILES OC(=O)\C=C\C(=O)NNC(=O)c1cnccc1Cc1ccccc1
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Ligand-Target Pair		3D
3D Structure (crystal)
RNA demethylase ALKBH5


(Homo sapiens)		BDBM50557836
PNG
(CHEMBL4752151)
Show SMILES OC(SCC(O)=O)C(=O)c1ccccc1
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50017226
PNG
((R)-2-Amino-7-phosphono-heptanoic acid | 2-Amino-7...)
Show SMILES N[C@H](CCCCCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)/t6-/m1/s1
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Ligand-Target Pair
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))		BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417138
PNG
(CHEMBL5280834)
Show SMILES O=C(NNc1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C15H12N4O/c20-15(19-18-11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)17-14/h1-10,18H,(H,19,20)
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n/an/a 1.14E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50416838
PNG
(CHEMBL5274182)
Show SMILES Nc1sc(c2-c3ccccc3C(=O)c12)-c1cncnc1
Show InChI InChI=1S/C15H9N3OS/c16-15-12-11(9-3-1-2-4-10(9)13(12)19)14(20-15)8-5-17-7-18-6-8/h1-7H,16H2
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417860
PNG
(CHEMBL525388)
Show SMILES CCOc1nc2ccccc2nc1C(=O)Nc1ccc(cc1)N(CC)CC
Show InChI InChI=1S/C21H24N4O2/c1-4-25(5-2)16-13-11-15(12-14-16)22-20(26)19-21(27-6-3)24-18-10-8-7-9-17(18)23-19/h7-14H,4-6H2,1-3H3,(H,22,26)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50416557
PNG
(CHEMBL5282066)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H19NOS/c26-24(22-17-16-21(27-22)18-10-4-1-5-11-18)25-23(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,23H,(H,25,26)
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Ligand-Target Pair
RNA demethylase ALKBH5


(Homo sapiens)		BDBM50416557
PNG
(CHEMBL5282066)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H19NOS/c26-24(22-17-16-21(27-22)18-10-4-1-5-11-18)25-23(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,23H,(H,25,26)
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n/an/a 1.24E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50416556
PNG
(CHEMBL1618358)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C23H18N2OS/c26-22(20-16-27-23(24-20)19-14-8-3-9-15-19)25-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16,21H,(H,25,26)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50416553
PNG
(CHEMBL5274437)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)c1ccc(s1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C26H20N2OS/c29-26(28-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19)24-15-14-23(30-24)21-12-7-13-22-20(21)16-17-27-22/h1-17,25,27H,(H,28,29)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417137
PNG
(METIZOLINE | Metizoline)
Show SMILES O=C(NCc1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C16H13N3O/c20-16(18-10-12-6-2-1-3-7-12)15-11-17-13-8-4-5-9-14(13)19-15/h1-9,11H,10H2,(H,18,20)
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n/an/a 1.37E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417134
PNG
(CHEBI:4392 | DEMECLOCYCLINE | Demeclocycline | Dem...)
Show SMILES O=C(Nc1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C15H11N3O/c19-15(17-11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)18-14/h1-10H,(H,17,19)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50416552
PNG
(CHEMBL5286746)
Show SMILES NC(=O)C(CC1CCCCC1)NC(=O)c1ccc(s1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C22H25N3O2S/c23-21(26)18(13-14-5-2-1-3-6-14)25-22(27)20-10-9-19(28-20)16-7-4-8-17-15(16)11-12-24-17/h4,7-12,14,18,24H,1-3,5-6,13H2,(H2,23,26)(H,25,27)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50086503
PNG
(2-(5-Thiocyanato-benzofuran-2-yl)-4,5-dihydro-1H-i...)
Show SMILES N#CSc1ccc2oc(cc2c1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C12H9N3OS/c13-7-17-9-1-2-10-8(5-9)6-11(16-10)12-14-3-4-15-12/h1-2,5-6H,3-4H2,(H,14,15)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50416551
PNG
(CHEMBL5284148)
Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)-c1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C19H22N2O3/c1-12(2)10-17(18(20)23)21-19(24)14-8-6-13(7-9-14)15-4-3-5-16(22)11-15/h3-9,11-12,17,22H,10H2,1-2H3,(H2,20,23)(H,21,24)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417141
PNG
(CHEMBL5282054)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12ClN3O/c1-10-11(17)5-4-8-12(10)20-16(21)15-9-18-13-6-2-3-7-14(13)19-15/h2-9H,1H3,(H,20,21)
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n/an/a 1.72E+3n/an/an/an/an/an/a


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Ligand-Target Pair
RNA demethylase ALKBH5


(Homo sapiens)		BDBM50557837
PNG
(CHEMBL4753950)
Show SMILES O=C1CC(NCc2ccco2)C(=O)NN1
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n/an/a 1.79E+3n/an/an/an/an/an/a


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Ligand-Target Pair
RNA demethylase ALKBH5


(Homo sapiens)		BDBM50592071
PNG
(CHEMBL5169684)
Show SMILES OC(=O)c1ccnc(c1)C(=O)NS(=O)(=O)c1ccccc1[N+]([O-])=O
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n/an/a 1.80E+3n/an/an/an/an/an/a


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Ligand-Target Pair
RNA demethylase ALKBH5


(Homo sapiens)		BDBM50485565
PNG
(CHEMBL465179)
Show SMILES CN(C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
Show InChI InChI=1S/C8H12ClN7O/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12/h1-2H3,(H2,10,14)(H4,11,12,15,17)
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n/an/a 1.98E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50416554
PNG
(CHEMBL5289143)
Show SMILES O=C(NC(c1ccccc1)c1ccccc1)c1ccc(s1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H18N2OS/c26-17-18-8-7-13-21(16-18)22-14-15-23(29-22)25(28)27-24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-16,24H,(H,27,28)
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Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM32021
PNG
(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
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n/an/a 2.18E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50565138
PNG
(CHEMBL595227 | PD-404182)
Show SMILES N=C1Sc2ccccc2C2=NCCCN12 |t:10|
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n/an/a 2.18E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417148
PNG
(CHEMBL5280448)
Show SMILES Clc1cccc(NC(=O)c2cnc3ccccc3n2)c1
Show InChI InChI=1S/C15H10ClN3O/c16-10-4-3-5-11(8-10)18-15(20)14-9-17-12-6-1-2-7-13(12)19-14/h1-9H,(H,18,20)
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n/an/a 2.24E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 2.58E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM589237
PNG
(US11555009, Compound 25)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)NO)c(Cl)c1
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n/an/a 2.60E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50416762
PNG
(CHEMBL5288180)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)C1SCCCS1
Show InChI InChI=1S/C17H24OS2/c1-12(2)11-14-5-7-15(8-6-14)13(3)16(18)17-19-9-4-10-20-17/h5-8,12-13,17H,4,9-11H2,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417136
PNG
(BENZAMIL | Benzamil | CHEBI:34558)
Show SMILES COc1ccc(NC(=O)c2cnc3ccccc3n2)cc1
Show InChI InChI=1S/C16H13N3O2/c1-21-12-8-6-11(7-9-12)18-16(20)15-10-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,18,20)
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n/an/a 2.79E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a 2.80E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3


(Homo sapiens (Human))		BDBM50417863
PNG
(CHEMBL5288450)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC=C)CC1
Show InChI InChI=1S/C18H22N4O2/c1-3-9-21-10-12-22(13-11-21)18(23)16-17(24-4-2)20-15-8-6-5-7-14(15)19-16/h3,5-8H,1,4,9-13H2,2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
RNA demethylase ALKBH5


(Homo sapiens)		BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 2.90E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM3532
PNG
(CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50416555
PNG
(CHEMBL5275732)
Show SMILES OCc1cccc(c1)-c1ccc(s1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H21NO2S/c27-17-18-8-7-13-21(16-18)22-14-15-23(29-22)25(28)26-24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-16,24,27H,17H2,(H,26,28)
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n/an/a 3.05E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50237588
PNG
(CHEBI:31624 | CHEMBL1057)
Show SMILES Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccccc23)c1
Show InChI InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H
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n/an/a 3.23E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 3.30E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50105838
PNG
(FENOBAM)
Show SMILES CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:5|
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
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n/an/a 3.31E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50108879
PNG
((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Show SMILES CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N
Show InChI InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
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n/an/a 3.50E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417139
PNG
(CHEMBL1200433)
Show SMILES CC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1
Show InChI InChI=1S/C17H13N3O2/c1-11(21)12-5-4-6-13(9-12)19-17(22)16-10-18-14-7-2-3-8-15(14)20-16/h2-10H,1H3,(H,19,22)
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n/an/a 3.65E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3


(Homo sapiens (Human))		BDBM50416763
PNG
(CHEMBL5282569)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)C[N+]([O-])=O
Show InChI InChI=1S/C14H19NO3/c1-10(2)8-12-4-6-13(7-5-12)11(3)14(16)9-15(17)18/h4-7,10-11H,8-9H2,1-3H3
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n/an/a 3.70E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a 3.90E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50416766
PNG
(CHEMBL5285500)
Show SMILES CC(C(=O)C1SCCCS1)c1ccccc1
Show InChI InChI=1S/C13H16OS2/c1-10(11-6-3-2-4-7-11)12(14)13-15-8-5-9-16-13/h2-4,6-7,10,13H,5,8-9H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))		BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 4.10E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))		BDBM50417142
PNG
(CHEMBL5271944)
Show SMILES O=C(Nc1nc2ccccc2s1)c1cnc2ccccc2n1
Show InChI InChI=1S/C16H10N4OS/c21-15(13-9-17-10-5-1-2-6-11(10)18-13)20-16-19-12-7-3-4-8-14(12)22-16/h1-9H,(H,19,20,21)
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n/an/a 4.12E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
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