Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'mecinovic' and Initial = 'j'   

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 4E (Homo sapiens (Human))	BDBM26113 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26119 (2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...) Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50306579 ((R)-2-(carboxyformamido)-3-(4-(2-fluorobenzyloxy)p...) Show SMILES OC(=O)[C@@H](Cc1ccc(OCc2ccccc2F)cc1)NC(=O)C(O)=O |r| Show InChI InChI=1S/C18H16FNO6/c19-14-4-2-1-3-12(14)10-26-13-7-5-11(6-8-13)9-15(17(22)23)20-16(21)18(24)25/h1-8,15H,9-10H2,(H,20,21)(H,22,23)(H,24,25)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of JMJD2A by MALDI-TOF assay				J Med Chem 53: 1810-8 (2010) Article DOI: 10.1021/jm901680b BindingDB Entry DOI: 10.7270/Q2959HPQ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50306580 ((R)-3-(4-(4-bromophenylsulfonyloxy)phenyl)-2-(carb...) Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)NC(=O)C(O)=O |r| Show InChI InChI=1S/C17H14BrNO8S/c18-11-3-7-13(8-4-11)28(25,26)27-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)17(23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of JMJD2A by MALDI-TOF assay				J Med Chem 53: 1810-8 (2010) Article DOI: 10.1021/jm901680b BindingDB Entry DOI: 10.7270/Q2959HPQ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50306581 ((R)-3-(4-(4-tert-butylphenylsulfonyloxy)phenyl)-2-...) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@@H](NC(=O)C(O)=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H23NO8S/c1-21(2,3)14-6-10-16(11-7-14)31(28,29)30-15-8-4-13(5-9-15)12-17(19(24)25)22-18(23)20(26)27/h4-11,17H,12H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of JMJD2A by MALDI-TOF assay				J Med Chem 53: 1810-8 (2010) Article DOI: 10.1021/jm901680b BindingDB Entry DOI: 10.7270/Q2959HPQ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50306582 ((R)-2-(carboxyformamido)-3-(4-(2-oxo-2-(4-(pyrroli...) Show SMILES OC(=O)[C@@H](Cc1ccc(OCC(=O)c2ccc(cc2)N2CCCC2)cc1)NC(=O)C(O)=O |r| Show InChI InChI=1S/C23H24N2O7/c26-20(16-5-7-17(8-6-16)25-11-1-2-12-25)14-32-18-9-3-15(4-10-18)13-19(22(28)29)24-21(27)23(30)31/h3-10,19H,1-2,11-14H2,(H,24,27)(H,28,29)(H,30,31)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of JMJD2A by MALDI-TOF assay				J Med Chem 53: 1810-8 (2010) Article DOI: 10.1021/jm901680b BindingDB Entry DOI: 10.7270/Q2959HPQ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50306583 ((R)-2-(carboxyformamido)-3-(4-(phenylsulfonyloxy)p...) Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)NC(=O)C(O)=O |r| Show InChI InChI=1S/C17H15NO8S/c19-15(17(22)23)18-14(16(20)21)10-11-6-8-12(9-7-11)26-27(24,25)13-4-2-1-3-5-13/h1-9,14H,10H2,(H,18,19)(H,20,21)(H,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of JMJD2A by MALDI-TOF assay				J Med Chem 53: 1810-8 (2010) Article DOI: 10.1021/jm901680b BindingDB Entry DOI: 10.7270/Q2959HPQ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50306584 ((R)-2-(carboxyformamido)-3-(4-(2-nitrobenzyloxy)ph...) Show SMILES OC(=O)[C@@H](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)NC(=O)C(O)=O |r| Show InChI InChI=1S/C18H16N2O8/c21-16(18(24)25)19-14(17(22)23)9-11-5-7-13(8-6-11)28-10-12-3-1-2-4-15(12)20(26)27/h1-8,14H,9-10H2,(H,19,21)(H,22,23)(H,24,25)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of JMJD2A by MALDI-TOF assay				J Med Chem 53: 1810-8 (2010) Article DOI: 10.1021/jm901680b BindingDB Entry DOI: 10.7270/Q2959HPQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50197063 (4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...) Show SMILES CC(=O)CC(=O)CCC(O)=O Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50306585 ((R)-2-(carboxyformamido)-3-(4-(4-fluorophenylsulfo...) Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)NC(=O)C(O)=O |r| Show InChI InChI=1S/C17H14FNO8S/c18-11-3-7-13(8-4-11)28(25,26)27-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)17(23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of JMJD2A by MALDI-TOF assay				J Med Chem 53: 1810-8 (2010) Article DOI: 10.1021/jm901680b BindingDB Entry DOI: 10.7270/Q2959HPQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM26106 (CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...) Show SMILES OC(=O)CNC(=O)C(O)=O Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26120 (pyrimidine analogue, 8 | pyrimidine-4,6-dicarboxyl...) Show SMILES OC(=O)c1cc(ncn1)C(O)=O Show InChI InChI=1S/C6H4N2O4/c9-5(10)3-1-4(6(11)12)8-2-7-3/h1-2H,(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair				3D Structure (docked)
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26110 (N,3-dihydroxybenzamide | aromatic hydroxamic acid,...) Show SMILES ONC(=O)c1cccc(O)c1 Show InChI InChI=1S/C7H7NO3/c9-6-3-1-2-5(4-6)7(10)8-11/h1-4,9,11H,(H,8,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description For compounds which were shown to inhibit FDH, a MALDI-TOF-MS inhibition assay was employed. After incubation, the diluted assay mixture was then mix...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50306586 ((R)-3-(4-(benzyloxy)phenyl)-2-(carboxyformamido)pr...) Show SMILES OC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(O)=O |r| Show InChI InChI=1S/C18H17NO6/c20-16(18(23)24)19-15(17(21)22)10-12-6-8-14(9-7-12)25-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,20)(H,21,22)(H,23,24)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of JMJD2A by MALDI-TOF assay				J Med Chem 53: 1810-8 (2010) Article DOI: 10.1021/jm901680b BindingDB Entry DOI: 10.7270/Q2959HPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299126 (2-(2-Ethoxy-2-oxoacetamido)acetic acid | CHEMBL572...) Show SMILES CCOC(=O)C(=O)NCC(O)=O Show InChI InChI=1S/C6H9NO5/c1-2-12-6(11)5(10)7-3-4(8)9/h2-3H2,1H3,(H,7,10)(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26106 (CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...) Show SMILES OC(=O)CNC(=O)C(O)=O Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50129197 (4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...) Show SMILES ONC(=O)CCC(O)=O Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299125 (2-(2-methoxy-2-oxoacetamido)acetic acid | CHEMBL89...) Show SMILES COC(=O)C(=O)NCC(O)=O Show InChI InChI=1S/C5H7NO5/c1-11-5(10)4(9)6-2-3(7)8/h2H2,1H3,(H,6,9)(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26108 ((2R)-2-(formamidoformic acid)-4-phenylbutanoic aci...) Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)C(O)=O |r| Show InChI InChI=1S/C12H13NO5/c14-10(12(17)18)13-9(11(15)16)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26116 (CHEMBL284104 | Dipicolinate | pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair				3D Structure (docked)
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26114 (CHEMBL88972 | pyridine carboxylate, 6b | pyridine-...) Show SMILES OC(=O)c1ccc(nc1)C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair				3D Structure (docked)
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26111 (N,5-dihydroxy-2-methoxybenzamide | aromatic hydrox...) Show SMILES COc1ccc(O)cc1C(=O)NO Show InChI InChI=1S/C8H9NO4/c1-13-7-3-2-5(10)4-6(7)8(11)9-12/h2-4,10,12H,1H3,(H,9,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26107 ((2R)-2-(formamidoformic acid)-3-phenylpropanoic ac...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O |r| Show InChI InChI=1S/C11H11NO5/c13-9(11(16)17)12-8(10(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26112 (N,5-dihydroxy-2-phenoxybenzamide | aromatic hydrox...) Show SMILES ONC(=O)c1cc(O)ccc1Oc1ccccc1 Show InChI InChI=1S/C13H11NO4/c15-9-6-7-12(11(8-9)13(16)14-17)18-10-4-2-1-3-5-10/h1-8,15,17H,(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+5	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299134 (3-(Carboxymethylamino)-3-oxopropanoic acid | CHEMB...) Show SMILES OC(=O)CNC(=O)CC(O)=O Show InChI InChI=1S/C5H7NO5/c7-3(1-4(8)9)6-2-5(10)11/h1-2H2,(H,6,7)(H,8,9)(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299136 (2-(2,3-dioxo-3-phenylpropanamido)acetic acid | CHE...) Show SMILES OC(=O)CNC(=O)C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C11H9NO5/c13-8(14)6-12-11(17)10(16)9(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,17)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+5	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26121 (SUCCINIC ACID | Substrate analogue, 11 | Succinate...) Show SMILES OC(=O)CCC(O)=O Show InChI InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+5	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299127 (2-(2-(Ethylamino)-2-oxoacetamido)acetic acid | CHE...) Show SMILES CCNC(=O)C(=O)NCC(O)=O Show InChI InChI=1S/C6H10N2O4/c1-2-7-5(11)6(12)8-3-4(9)10/h2-3H2,1H3,(H,7,11)(H,8,12)(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299128 (2-(2-(Benzylamino)-2-oxoacetamido)acetic acid | CH...) Show SMILES OC(=O)CNC(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C11H12N2O4/c14-9(15)7-13-11(17)10(16)12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)(H,13,17)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299129 (5-(Ethylamino)-4,5-dioxopenthanoic acid | CHEMBL57...) Show SMILES CCNC(=O)C(=O)CCC(O)=O Show InChI InChI=1S/C7H11NO4/c1-2-8-7(12)5(9)3-4-6(10)11/h2-4H2,1H3,(H,8,12)(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299133 (2-(3-oxo-3-phenylpropanamido)acetic acid | CHEMBL5...) Show SMILES OC(=O)CNC(=O)CC(=O)c1ccccc1 Show InChI InChI=1S/C11H11NO4/c13-9(8-4-2-1-3-5-8)6-10(14)12-7-11(15)16/h1-5H,6-7H2,(H,12,14)(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299131 (2-(3-Hydroxyureido)acetic acid | CHEMBL573239) Show SMILES ONC(=O)NCC(O)=O Show InChI InChI=1S/C3H6N2O4/c6-2(7)1-4-3(8)5-9/h9H,1H2,(H,6,7)(H2,4,5,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299132 (2-(3-Oxobutanamido)acetic acid | CHEMBL573193) Show SMILES CC(=O)CC(=O)NCC(O)=O Show InChI InChI=1S/C6H9NO4/c1-4(8)2-5(9)7-3-6(10)11/h2-3H2,1H3,(H,7,9)(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299135 (2-(3-Ethoxy-3-oxopropanamido)acetic acid | CHEMBL5...) Show SMILES CCOC(=O)CC(=O)NCC(O)=O Show InChI InChI=1S/C7H11NO5/c1-2-13-7(12)3-5(9)8-4-6(10)11/h2-4H2,1H3,(H,8,9)(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299137 (2-(2-Methoxy-2-oxoethylamino)-2-oxoacetic acid | C...) Show SMILES COC(=O)CNC(=O)C(O)=O Show InChI InChI=1S/C5H7NO5/c1-11-3(7)2-6-4(8)5(9)10/h2H2,1H3,(H,6,8)(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50299130 (2-(2,3-Dioxopiperazin-1-yl)acetic acid | CHEMBL572...) Show SMILES OC(=O)CN1CCNC(=O)C1=O Show InChI InChI=1S/C6H8N2O4/c9-4(10)3-8-2-1-7-5(11)6(8)12/h1-3H2,(H,7,11)(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181-426) by FRET assay				Bioorg Med Chem Lett 19: 6192-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.005 BindingDB Entry DOI: 10.7270/Q24F1QSQ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26122 ((2E)-but-2-enedioic acid | FUMARIC ACID | Fumarate...) Show SMILES OC(=O)\C=C\C(O)=O Show InChI InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair				3D Structure (docked)
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26109 (Butyrate | butanoic acid | butanoic acid, 4) Show SMILES CCCC(O)=O Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26117 (pyridine carboxylate, 6e | pyridine-3,4-dicarboxyl...) Show SMILES OC(=O)c1ccncc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26118 (pyridine carboxylate, 6f | pyridine-3,5-dicarboxyl...) Show SMILES OC(=O)c1cncc(c1)C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3H,(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
					More data for this Ligand-Target Pair				3D Structure (docked)