Compile Data Set for Download or QSAR

Found 485 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 4A'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158888 (CHEMBL3785984) Show SMILES CCCCCCCCOC(=O)c1ccc(O)c2ncccc12 Show InChI InChI=1S/C18H23NO3/c1-2-3-4-5-6-7-13-22-18(21)15-10-11-16(20)17-14(15)9-8-12-19-17/h8-12,20H,2-7,13H2,1H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human Flag-tagged KDM4A expressed in human HeLa cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunof...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513343 (CHEMBL4449500) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of FLAG tagged full length wild type human KDM4A transfected in HeLa cells assessed as decrease in demethylation of H3K9Me3 measured after...				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513360 (CHEMBL4573390) Show SMILES CC1(CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN6O/c1-24(18-3-2-4-19(25)13-18)7-11-30(12-8-24)10-6-17-14-29-31(15-17)22-21-20(5-9-26-22)23(32)28-16-27-21/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,27,28,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of FLAG tagged full length wild type human KDM4A transfected in HeLa cells assessed as decrease in demethylation of H3K9Me3 measured after...				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50151923 (CHEMBL3774537) Show SMILES Clc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of FLAG tagged full length wild type human KDM4A transfected in HeLa cells assessed as decrease in demethylation of H3K9Me3 measured after...				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158849 (CHEMBL3785164) Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of full-length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 level after 24 hrs by DAPI...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513361 (CHEMBL4567766) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(c2)-c2cccnc2)cn1 Show InChI InChI=1S/C28H27N7O/c36-28-25-6-11-30-27(26(25)31-19-32-28)35-18-20(16-33-35)7-12-34-13-8-21(9-14-34)22-3-1-4-23(15-22)24-5-2-10-29-17-24/h1-6,10-11,15-19,21H,7-9,12-14H2,(H,31,32,36)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of FLAG tagged full length wild type human KDM4A transfected in HeLa cells assessed as decrease in demethylation of H3K9Me3 measured after...				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158849 (CHEMBL3785164) Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4A in human MCF7 cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunofuorescence assay				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513345 (CHEMBL4438830) Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	3.03E+4	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of FLAG tagged full length wild type human KDM4A transfected in HeLa cells assessed as decrease in demethylation of H3K9Me3 measured after...				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454844 (CHEMBL4204694) Show SMILES CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O)[C@H](C)O Show InChI InChI=1S/C88H124N24O20S/c1-6-48(4)71-84(131)111-70(47(2)3)83(130)107-65(39-51-18-11-8-12-19-51)80(127)105-63(41-53-25-31-56(116)32-26-53)79(126)106-64(42-54-27-33-57(117)34-28-54)81(128)109-67(73(89)120)45-133-46-69(119)100-61(40-52-23-29-55(115)30-24-52)82(129)112-72(49(5)114)85(132)103-60(22-15-37-98-88(94)95)76(123)104-62(38-50-16-9-7-10-17-50)78(125)102-58(20-13-35-96-86(90)91)75(122)101-59(21-14-36-97-87(92)93)77(124)108-66(44-113)74(121)99-43-68(118)110-71/h7-12,16-19,23-34,47-49,58-67,70-72,113-117H,6,13-15,20-22,35-46H2,1-5H3,(H2,89,120)(H,99,121)(H,100,119)(H,101,122)(H,102,125)(H,103,132)(H,104,123)(H,105,127)(H,106,126)(H,107,130)(H,108,124)(H,109,128)(H,110,118)(H,111,131)(H,112,129)(H4,90,91,96)(H4,92,93,97)(H4,94,95,98)/t48-,49-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,70-,71-,72-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAP...				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454856 (CHEMBL4208277) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)[C@@H](C)CC Show InChI InChI=1S/C73H116N26O15S/c1-7-38(3)56-66(111)93-48(20-13-29-85-72(79)80)61(106)94-51(33-42-34-87-45-17-10-9-16-44(42)45)68(113)98(6)54(58(74)103)36-115-37-55(102)89-50(32-41-23-25-43(101)26-24-41)69(114)99-31-15-22-53(99)65(110)91-49(21-14-30-86-73(81)82)63(108)97-57(39(4)8-2)67(112)92-47(19-12-28-84-71(77)78)60(105)90-46(18-11-27-83-70(75)76)62(107)95-52(35-100)64(109)88-40(5)59(104)96-56/h9-10,16-17,23-26,34,38-40,46-54,56-57,87,100-101H,7-8,11-15,18-22,27-33,35-37H2,1-6H3,(H2,74,103)(H,88,109)(H,89,102)(H,90,105)(H,91,110)(H,92,112)(H,93,111)(H,94,106)(H,95,107)(H,96,104)(H,97,108)(H4,75,76,83)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)/t38-,39-,40+,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAP...				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454858 (CHEMBL4218774) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)[C@@H](C)CC Show InChI InChI=1S/C78H116N24O15S/c1-8-42(5)63-73(115)95-53(22-15-29-87-77(82)83)67(109)94-52(21-14-28-86-76(80)81)68(110)99-59(38-103)66(108)91-37-61(105)92-57(33-45-35-89-50-19-12-10-17-48(45)50)71(113)97-55(31-41(3)4)70(112)98-58(34-46-36-90-51-20-13-11-18-49(46)51)75(117)102(7)60(65(79)107)39-118-40-62(106)93-56(32-44-24-26-47(104)27-25-44)72(114)101-64(43(6)9-2)74(116)96-54(69(111)100-63)23-16-30-88-78(84)85/h10-13,17-20,24-27,35-36,41-43,52-60,63-64,89-90,103-104H,8-9,14-16,21-23,28-34,37-40H2,1-7H3,(H2,79,107)(H,91,108)(H,92,105)(H,93,106)(H,94,109)(H,95,115)(H,96,116)(H,97,113)(H,98,112)(H,99,110)(H,100,111)(H,101,114)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t42-,43-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAP...				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454849 (CHEMBL4218675) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)[C@@H](C)CC Show InChI InChI=1S/C77H114N24O15S/c1-7-41(5)62-73(115)94-52(21-14-28-86-76(81)82)66(108)93-51(20-13-27-85-75(79)80)67(109)98-58(37-102)65(107)90-36-60(104)91-56(32-44-34-88-49-18-11-9-16-47(44)49)70(112)96-54(30-40(3)4)69(111)97-57(33-45-35-89-50-19-12-10-17-48(45)50)71(113)99-59(64(78)106)38-117-39-61(105)92-55(31-43-23-25-46(103)26-24-43)72(114)101-63(42(6)8-2)74(116)95-53(68(110)100-62)22-15-29-87-77(83)84/h9-12,16-19,23-26,34-35,40-42,51-59,62-63,88-89,102-103H,7-8,13-15,20-22,27-33,36-39H2,1-6H3,(H2,78,106)(H,90,107)(H,91,104)(H,92,105)(H,93,108)(H,94,115)(H,95,116)(H,96,112)(H,97,111)(H,98,109)(H,99,113)(H,100,110)(H,101,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t41-,42-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAP...				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454852 (CHEMBL4208111) Show SMILES CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)[C@@H](C)CC Show InChI InChI=1S/C72H114N26O15S/c1-6-38(3)56-65(110)91-47(19-12-28-84-71(78)79)61(106)93-50(32-41-33-86-44-16-9-8-15-43(41)44)67(112)97(5)53(58(73)103)36-114-37-55(102)88-49(31-40-22-24-42(100)25-23-40)68(113)98-30-14-21-52(98)64(109)90-48(20-13-29-85-72(80)81)63(108)96-57(39(4)7-2)66(111)92-46(18-11-27-83-70(76)77)60(105)89-45(17-10-26-82-69(74)75)62(107)94-51(35-99)59(104)87-34-54(101)95-56/h8-9,15-16,22-25,33,38-39,45-53,56-57,86,99-100H,6-7,10-14,17-21,26-32,34-37H2,1-5H3,(H2,73,103)(H,87,104)(H,88,102)(H,89,105)(H,90,109)(H,91,110)(H,92,111)(H,93,106)(H,94,107)(H,95,101)(H,96,108)(H4,74,75,82)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t38-,39-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAP...				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454850 (CHEMBL4206582) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)[C@@H](C)CC Show InChI InChI=1S/C72H114N26O15S/c1-6-37(3)55-66(111)92-47(19-12-28-84-71(78)79)60(105)93-49(32-41-33-86-44-16-9-8-15-43(41)44)63(108)95-52(57(73)102)35-114-36-54(101)88-50(31-40-22-24-42(100)25-23-40)68(113)98-30-14-21-53(98)65(110)90-48(20-13-29-85-72(80)81)62(107)97-56(38(4)7-2)67(112)91-46(18-11-27-83-70(76)77)59(104)89-45(17-10-26-82-69(74)75)61(106)94-51(34-99)64(109)87-39(5)58(103)96-55/h8-9,15-16,22-25,33,37-39,45-53,55-56,86,99-100H,6-7,10-14,17-21,26-32,34-36H2,1-5H3,(H2,73,102)(H,87,109)(H,88,101)(H,89,104)(H,90,110)(H,91,112)(H,92,111)(H,93,105)(H,94,106)(H,95,108)(H,96,103)(H,97,107)(H4,74,75,82)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t37-,38-,39+,45-,46-,47-,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAP...				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454855 (CHEMBL4215000) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O Show InChI InChI=1S/C80H120N24O15S/c1-10-43(5)64-74(116)96-55(24-17-31-89-79(84)85)68(110)95-54(23-16-30-88-78(82)83)69(111)101-61(39-105)73(115)93-45(7)67(109)98-58(35-47-37-91-52-21-14-12-19-50(47)52)72(114)99-57(33-42(3)4)71(113)100-60(36-48-38-92-53-22-15-13-20-51(48)53)76(118)103(8)62(66(81)108)40-120-41-63(107)94-59(34-46-26-28-49(106)29-27-46)77(119)104(9)65(44(6)11-2)75(117)97-56(70(112)102-64)25-18-32-90-80(86)87/h12-15,19-22,26-29,37-38,42-45,54-62,64-65,91-92,105-106H,10-11,16-18,23-25,30-36,39-41H2,1-9H3,(H2,81,108)(H,93,115)(H,94,107)(H,95,110)(H,96,116)(H,97,117)(H,98,109)(H,99,114)(H,100,113)(H,101,111)(H,102,112)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t43-,44-,45+,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAP...				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454848 (CHEMBL4205285) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)[C@@H](C)CC Show InChI InChI=1S/C78H116N24O15S/c1-8-41(5)62-74(116)94-53(22-15-29-87-77(82)83)66(108)93-52(21-14-28-86-76(80)81)67(109)99-59(37-103)73(115)91-43(7)65(107)96-57(33-45-35-89-50-19-12-10-17-48(45)50)70(112)97-55(31-40(3)4)69(111)98-58(34-46-36-90-51-20-13-11-18-49(46)51)71(113)100-60(64(79)106)38-118-39-61(105)92-56(32-44-24-26-47(104)27-25-44)72(114)102-63(42(6)9-2)75(117)95-54(68(110)101-62)23-16-30-88-78(84)85/h10-13,17-20,24-27,35-36,40-43,52-60,62-63,89-90,103-104H,8-9,14-16,21-23,28-34,37-39H2,1-7H3,(H2,79,106)(H,91,115)(H,92,105)(H,93,108)(H,94,116)(H,95,117)(H,96,107)(H,97,112)(H,98,111)(H,99,109)(H,100,113)(H,101,110)(H,102,114)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t41-,42-,43+,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAP...				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454854 (CHEMBL4209038) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O Show InChI InChI=1S/C78H116N24O15S/c1-8-42(5)63-73(115)95-53(22-15-29-87-77(82)83)67(109)94-52(21-14-28-86-76(80)81)68(110)99-59(38-103)66(108)91-37-61(105)92-56(33-45-35-89-50-19-12-10-17-48(45)50)71(113)97-55(31-41(3)4)70(112)98-57(34-46-36-90-51-20-13-11-18-49(46)51)72(114)100-60(65(79)107)39-118-40-62(106)93-58(32-44-24-26-47(104)27-25-44)75(117)102(7)64(43(6)9-2)74(116)96-54(69(111)101-63)23-16-30-88-78(84)85/h10-13,17-20,24-27,35-36,41-43,52-60,63-64,89-90,103-104H,8-9,14-16,21-23,28-34,37-40H2,1-7H3,(H2,79,107)(H,91,108)(H,92,105)(H,93,106)(H,94,109)(H,95,115)(H,96,116)(H,97,113)(H,98,112)(H,99,110)(H,100,114)(H,101,111)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t42-,43-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAP...				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454851 (CHEMBL4209558) Show SMILES CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)[C@@H](C)CC Show InChI InChI=1S/C71H112N26O15S/c1-5-37(3)55-65(110)90-46(18-11-27-83-70(77)78)60(105)92-48(31-40-32-85-43-15-8-7-14-42(40)43)63(108)94-51(57(72)102)35-113-36-54(101)87-49(30-39-21-23-41(99)24-22-39)67(112)97-29-13-20-52(97)64(109)89-47(19-12-28-84-71(79)80)62(107)96-56(38(4)6-2)66(111)91-45(17-10-26-82-69(75)76)59(104)88-44(16-9-25-81-68(73)74)61(106)93-50(34-98)58(103)86-33-53(100)95-55/h7-8,14-15,21-24,32,37-38,44-52,55-56,85,98-99H,5-6,9-13,16-20,25-31,33-36H2,1-4H3,(H2,72,102)(H,86,103)(H,87,101)(H,88,104)(H,89,109)(H,90,110)(H,91,111)(H,92,105)(H,93,106)(H,94,108)(H,95,100)(H,96,107)(H4,73,74,81)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t37-,38-,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAP...				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50396018 (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)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human Flag-tagged KDM4A expressed in human HeLa cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunof...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454847 (CHEMBL4203936) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C95H119N25O21S/c1-48(2)79-92(140)116-69(36-52-24-30-58(125)31-25-52)86(134)115-73(40-76(96)126)91(139)120-80(49(3)122)93(141)111-66(19-11-33-103-95(100)101)84(132)117-74(45-121)82(130)107-44-77(127)108-70(37-53-41-104-62-15-7-4-12-59(53)62)87(135)110-65(18-10-32-102-94(98)99)83(131)113-71(38-54-42-105-63-16-8-5-13-60(54)63)88(136)112-68(35-51-22-28-57(124)29-23-51)85(133)114-72(39-55-43-106-64-17-9-6-14-61(55)64)89(137)118-75(81(97)129)46-142-47-78(128)109-67(90(138)119-79)34-50-20-26-56(123)27-21-50/h4-9,12-17,20-31,41-43,48-49,65-75,79-80,104-106,121-125H,10-11,18-19,32-40,44-47H2,1-3H3,(H2,96,126)(H2,97,129)(H,107,130)(H,108,127)(H,109,128)(H,110,135)(H,111,141)(H,112,136)(H,113,131)(H,114,133)(H,115,134)(H,116,140)(H,117,132)(H,118,137)(H,119,138)(H,120,139)(H4,98,99,102)(H4,100,101,103)/t49-,65+,66+,67-,68+,69+,70+,71+,72+,73+,74+,75+,79+,80+/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Stabilization of FLAG-tagged KDM4A (1 to 1064 residues) (unknown origin) expressed in human U2OS cells measured after 3 hrs by CETSA				Bioorg Med Chem 26: 1225-1231 (2018) Article DOI: 10.1016/j.bmc.2018.01.013 BindingDB Entry DOI: 10.7270/Q2WD435T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50457513 (CHEMBL4212908) Show SMILES CN(C)C[C@H]1C2CCC(C2)([C@H]1O)c1ccccc1 Show InChI InChI=1S/C16H23NO/c1-17(2)11-14-12-8-9-16(10-12,15(14)18)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/t12?,14-,15-,16?/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of NanoLuc-KDM4A-TUDOR domain (unknown origin) binding to Histone H3.3-HaloTag expressed in 293T cells incubated for 18 hrs by Nano-BRET b...				Bioorg Med Chem Lett 28: 1708-1713 (2018) Article DOI: 10.1016/j.bmcl.2018.04.050 BindingDB Entry DOI: 10.7270/Q2WM1H1X
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50457514 (CHEMBL4204908) Show SMILES CN(C)C[C@@H]1C2CCC(C2)([C@@H]1O)c1ccccc1 Show InChI InChI=1S/C16H23NO/c1-17(2)11-14-12-8-9-16(10-12,15(14)18)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/t12?,14-,15-,16?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.22E+6	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of NanoLuc-KDM4A-TUDOR domain (unknown origin) binding to Histone H3.3-HaloTag expressed in 293T cells incubated for 18 hrs by Nano-BRET b...				Bioorg Med Chem Lett 28: 1708-1713 (2018) Article DOI: 10.1016/j.bmcl.2018.04.050 BindingDB Entry DOI: 10.7270/Q2WM1H1X
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513345 (CHEMBL4438830) Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50151923 (CHEMBL3774537) Show SMILES Clc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513361 (CHEMBL4567766) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(c2)-c2cccnc2)cn1 Show InChI InChI=1S/C28H27N7O/c36-28-25-6-11-30-27(26(25)31-19-32-28)35-18-20(16-33-35)7-12-34-13-8-21(9-14-34)22-3-1-4-23(15-22)24-5-2-10-29-17-24/h1-6,10-11,15-19,21H,7-9,12-14H2,(H,31,32,36)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513344 (CHEMBL4447515) Show SMILES Fc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23FN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513348 (CHEMBL4585876) Show SMILES CN(C)CCc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)13-8-20-3-5-22(6-4-20)23-10-15-33(16-11-23)14-9-21-17-31-34(18-21)26-25-24(7-12-28-26)27(35)30-19-29-25/h3-7,12,17-19,23H,8-11,13-16H2,1-2H3,(H,29,30,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513343 (CHEMBL4449500) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513360 (CHEMBL4573390) Show SMILES CC1(CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN6O/c1-24(18-3-2-4-19(25)13-18)7-11-30(12-8-24)10-6-17-14-29-31(15-17)22-21-20(5-9-26-22)23(32)28-16-27-21/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,27,28,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem	PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513346 (CHEMBL4525269) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(cn1)C1CCN(CC2CCC2)CC1 Show InChI InChI=1S/C20H24N6O/c27-20-17-4-7-21-19(18(17)22-13-23-20)26-12-16(10-24-26)15-5-8-25(9-6-15)11-14-2-1-3-14/h4,7,10,12-15H,1-3,5-6,8-9,11H2,(H,22,23,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158852 (CHEMBL3785340) Show SMILES [I-].CCCCCC[n+]1ccc(\C=C\c2ccc(cc2)N(C)C)cc1 Show InChI InChI=1S/C21H29N2.HI/c1-4-5-6-7-16-23-17-14-20(15-18-23)9-8-19-10-12-21(13-11-19)22(2)3;/h8-15,17-18H,4-7,16H2,1-3H3;1H/q+1;/p-1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of recombinant His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158851 (CHEMBL3786265) Show SMILES [I-].CN(C)c1ccc(\C=C\c2cc[n+](Cc3ccc(F)cc3)cc2)cc1 Show InChI InChI=1S/C22H22FN2.HI/c1-24(2)22-11-7-18(8-12-22)3-4-19-13-15-25(16-14-19)17-20-5-9-21(23)10-6-20;/h3-16H,17H2,1-2H3;1H/q+1;/p-1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of recombinant His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158850 (CHEMBL3785434) Show SMILES NNC(=O)Cc1nnn[nH]1 Show InChI InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of human KDM4A (1 to 359 residues) expressed in competent Escherichia coli BL21-CodonPlus-RIL cells using 2-oxoglutarate as su...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158853 (CHEMBL3786188) Show SMILES Cc1ccc(cc1)N1N=C(SC11SCC(=O)N1c1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C24H19N3O2S2/c1-17-12-14-20(15-13-17)27-24(26(21(28)16-30-24)19-10-6-3-7-11-19)31-23(25-27)22(29)18-8-4-2-5-9-18/h2-15H,16H2,1H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of recombinant His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50047962 (CHEMBL1966136) Show SMILES [O-][N+](=O)c1cc(c(\C=C\c2ccc(Cl)c(Cl)c2)cc1\C=C\c1ccc(Cl)c(Cl)c1)[N+]([O-])=O Show InChI InChI=1S/C22H12Cl4N2O4/c23-17-7-3-13(9-19(17)25)1-5-15-11-16(22(28(31)32)12-21(15)27(29)30)6-2-14-4-8-18(24)20(26)10-14/h1-12H/b5-1+,6-2+	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Tsing Hua University Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human KDM4A (1 to 347 aa) expressed in Escherichia coli using H3K9me3 peptide as substrate after 30 mins by dou...				J Med Chem 57: 5975-85 (2014) Article DOI: 10.1021/jm500249n BindingDB Entry DOI: 10.7270/Q2QC0557
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50457513 (CHEMBL4212908) Show SMILES CN(C)C[C@H]1C2CCC(C2)([C@H]1O)c1ccccc1 Show InChI InChI=1S/C16H23NO/c1-17(2)11-14-12-8-9-16(10-12,15(14)18)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/t12?,14-,15-,16?/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of H3(1-10)K4me3 peptide binding to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to...				Bioorg Med Chem Lett 28: 1708-1713 (2018) Article DOI: 10.1016/j.bmcl.2018.04.050 BindingDB Entry DOI: 10.7270/Q2WM1H1X
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (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 Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford									Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (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 Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	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									Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (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 Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford									Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (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 Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50324531 (3-(N-hydroxyacetamido)propanoic acid | CHEMBL12154...) Show SMILES CC(=O)N(O)CCC(O)=O Show InChI InChI=1S/C5H9NO4/c1-4(7)6(10)3-2-5(8)9/h10H,2-3H2,1H3,(H,8,9)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50324532 (3-{[6-(Dimethylamino)hexanoyl](hydroxy)amino}propa...) Show SMILES CN(C)CCCCCC(=O)N(O)CCC(O)=O Show InChI InChI=1S/C11H22N2O4/c1-12(2)8-5-3-4-6-10(14)13(17)9-7-11(15)16/h17H,3-9H2,1-2H3,(H,15,16)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50324533 (3-{[7-(Dimethylamino)heptanoyl](hydroxy)amino}prop...) Show SMILES CN(C)CCCCCCC(=O)N(O)CCC(O)=O Show InChI InChI=1S/C12H24N2O4/c1-13(2)9-6-4-3-5-7-11(15)14(18)10-8-12(16)17/h18H,3-10H2,1-2H3,(H,16,17)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50324534 (3-{[8-(Dimethylamino)octanoyl](hydroxy)amino}propa...) Show SMILES CN(C)CCCCCCCC(=O)N(O)CCC(O)=O Show InChI InChI=1S/C13H26N2O4/c1-14(2)10-7-5-3-4-6-8-12(16)15(19)11-9-13(17)18/h19H,3-11H2,1-2H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50324535 (3-{[9-(Dimethylamino)nonanoyl](hydroxy)amino}propa...) Show SMILES CN(C)CCCCCCCCC(=O)N(O)CCC(O)=O Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-8-6-4-3-5-7-9-13(17)16(20)12-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50324536 (3-{[10-(Dimethylamino)decanoyl](hydroxy)amino}prop...) Show SMILES CN(C)CCCCCCCCCC(=O)N(O)CCC(O)=O Show InChI InChI=1S/C15H30N2O4/c1-16(2)12-9-7-5-3-4-6-8-10-14(18)17(21)13-11-15(19)20/h21H,3-13H2,1-2H3,(H,19,20)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50324537 (3-{[11-(Dimethylamino)undecanoyl](hydroxy)amino}pr...) Show SMILES CN(C)CCCCCCCCCCC(=O)N(O)CCC(O)=O Show InChI InChI=1S/C16H32N2O4/c1-17(2)13-10-8-6-4-3-5-7-9-11-15(19)18(22)14-12-16(20)21/h22H,3-14H2,1-2H3,(H,20,21)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50324538 (3-{[12-(Dimethylamino)dodecanoyl](hydroxy)amino}pr...) Show SMILES CN(C)CCCCCCCCCCCC(=O)N(O)CCC(O)=O Show InChI InChI=1S/C17H34N2O4/c1-18(2)14-11-9-7-5-3-4-6-8-10-12-16(20)19(23)15-13-17(21)22/h23H,3-15H2,1-2H3,(H,21,22)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50324527 (4-[(8-Dimethylaminooctyl)-(hydroxyl)amino]-4-oxobu...) Show SMILES CN(C)CCCCCCCCN(O)C(=O)CCC(O)=O Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-7-5-3-4-6-8-12-16(20)13(17)9-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50324526 (3-(N-Hydroxy-7-methyloctanamido)propanoic acid | C...) Show SMILES CC(C)CCCCCC(=O)N(O)CCC(O)=O Show InChI InChI=1S/C12H23NO4/c1-10(2)6-4-3-5-7-11(14)13(17)9-8-12(15)16/h10,17H,3-9H2,1-2H3,(H,15,16)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay				J Med Chem 53: 5629-38 (2010) Article DOI: 10.1021/jm1003655 BindingDB Entry DOI: 10.7270/Q2N87B02
					More data for this Ligand-Target Pair

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