Compile Data Set for Download or QSAR

Found 26 hits of ec50 data for polymerid = 9436   

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 4A (Homo sapiens (Human))	BDBM50598654 (CHEMBL5169996) Show SMILES Oc1ccccc1-c1nc(-c2ccccc2O)n(n1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00680 BindingDB Entry DOI: 10.7270/Q2W95F76
					More data for this Ligand-Target Pair
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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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 BindingDB Entry DOI: 10.7270/Q25B05TF
					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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 BindingDB Entry DOI: 10.7270/Q25B05TF
					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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 BindingDB Entry DOI: 10.7270/Q25B05TF
					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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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))	BDBM50598655 (CHEMBL5178246) Show SMILES COC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00680 BindingDB Entry DOI: 10.7270/Q2W95F76
					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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 BindingDB Entry DOI: 10.7270/Q25B05TF
					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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50088376 (CHEBI:49005 | Deferasirox | Exjade | ICL670A | US1...) Show SMILES OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O Show InChI InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.05E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00680 BindingDB Entry DOI: 10.7270/Q2W95F76
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454849 (CHEMBL4218675) Show SMILES [H][C@]1(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](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)[C@@H](C)CC |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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))	BDBM50454844 (CHEMBL4204694) Show SMILES [H][C@]1(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](NC(=O)[C@@]([H])(NC(=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)NC1=O)[C@@H](C)CC)C(C)C)C(N)=O)[C@H](C)O |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 [H][C@]1(NC(=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)[C@@H](C)CC |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 [H][C@]1(NC(=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)[C@@H](C)CC |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 [H][C@]1(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](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)[C@@H](C)CC |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 [H][C@]1(NC(=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)[C@@H](C)CC |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 [H][C@]1(NC(=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)[C@@H](C)CC |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 [H][C@]1(NC(=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)[C@@H](C)CC |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 [H][C@]1(NC(=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)[C@@H](C)CC |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 [H][C@]1(NC(=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)[C@@H](C)CC |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 [H][C@]1(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)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](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)NC1=O)C(N)=O)C(C)C)[C@@H](C)O |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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))	BDBM50598662 (CHEMBL5181544) Show SMILES [H][C@]12CC[C@](C1)([C@@H](O)[C@H]2CN(C)C)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00680 BindingDB Entry DOI: 10.7270/Q2W95F76
					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 |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 |r| 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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