Compile Data Set for Download or QSAR

Found 395 hits of ic50 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))	BDBM50598661 (CHEMBL5203487) 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 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	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))	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	6	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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	11	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...				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))	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	15	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...				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))	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	17	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...				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))	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...				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))	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	23	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...				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))	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...				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))	BDBM50454859 (CHEMBL4206181) 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](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](CO)NC1=O)C(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC |r| Show InChI InChI=1S/C73H105N21O16S/c1-7-38(5)59-70(109)87-49(20-14-26-80-73(77)78)64(103)93-60(39(6)8-2)71(110)90-54(34-96)68(107)86-48(19-13-25-79-72(75)76)63(102)89-53(33-95)62(101)83-32-56(98)84-51(28-41-30-81-46-17-11-9-15-44(41)46)67(106)92-58(37(3)4)69(108)88-52(29-42-31-82-47-18-12-10-16-45(42)47)65(104)91-55(61(74)100)35-111-36-57(99)85-50(66(105)94-59)27-40-21-23-43(97)24-22-40/h9-12,15-18,21-24,30-31,37-39,48-55,58-60,81-82,95-97H,7-8,13-14,19-20,25-29,32-36H2,1-6H3,(H2,74,100)(H,83,101)(H,84,98)(H,85,99)(H,86,107)(H,87,109)(H,88,108)(H,89,102)(H,90,110)(H,91,104)(H,92,106)(H,93,103)(H,94,105)(H4,75,76,79)(H4,77,78,80)/t38-,39-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-,60-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	BDBM50598660 (CHEMBL5203308) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@@H](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@@H](C)O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	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))	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	34	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	BDBM293660 (3-({[(1S)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahyd...) Show SMILES CN(c1ccccc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCCc2c1 |r| Show InChI InChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-10-11-21-17(14-20)6-5-7-18(21)15-26-23-16-25-13-12-22(23)24(28)29/h2-4,8-14,16,18,26H,5-7,15H2,1H3,(H,28,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	35	n/a	n/a	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				3D Structure (crystal)
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	38	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...				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))	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...				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))	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	41	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	BDBM50454846 (CHEMBL4211201) Show SMILES [H][C@]1(NC(=O)[C@H](CO)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])(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](CCCCN)NC1=O)[C@@H](C)CC)C(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C73H103N19O16S/c1-5-39(3)60-70(106)85-49(19-11-12-26-74)64(100)84-50(20-13-27-78-73(76)77)65(101)87-54(35-93)63(99)81-34-58(96)82-51(30-42-32-79-47-17-9-7-15-45(42)47)67(103)90-61(40(4)6-2)71(107)86-52(31-43-33-80-48-18-10-8-16-46(43)48)66(102)89-56(62(75)98)37-109-38-59(97)83-53(29-41-22-24-44(95)25-23-41)72(108)92-28-14-21-57(92)69(105)88-55(36-94)68(104)91-60/h7-10,15-18,22-25,32-33,39-40,49-57,60-61,79-80,93-95H,5-6,11-14,19-21,26-31,34-38,74H2,1-4H3,(H2,75,98)(H,81,99)(H,82,96)(H,83,97)(H,84,100)(H,85,106)(H,86,107)(H,87,101)(H,88,105)(H,89,102)(H,90,103)(H,91,104)(H4,76,77,78)/t39-,40-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	BDBM50520629 (CHEMBL4532618) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)CSC(=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)[C@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C87H114N24O22S/c1-42(2)69-82(130)105-62(33-47-21-27-52(117)28-22-47)80(128)111-87(133)134-41-55(88)72(120)109-70(43(3)113)83(131)106-60(31-45-17-23-50(115)24-18-45)76(124)104-64(35-49-38-97-57-14-8-6-12-54(49)57)77(125)100-58(15-9-29-94-85(90)91)74(122)103-63(34-48-37-96-56-13-7-5-11-53(48)56)73(121)98-39-68(119)99-66(40-112)81(129)101-59(16-10-30-95-86(92)93)75(123)110-71(44(4)114)84(132)107-65(36-67(89)118)78(126)102-61(79(127)108-69)32-46-19-25-51(116)26-20-46/h5-8,11-14,17-28,37-38,42-44,55,58-66,69-71,96-97,112-117H,9-10,15-16,29-36,39-41,88H2,1-4H3,(H2,89,118)(H,98,121)(H,99,119)(H,100,125)(H,101,129)(H,102,126)(H,103,122)(H,104,124)(H,105,130)(H,106,131)(H,107,132)(H,108,127)(H,109,120)(H,110,123)(H4,90,91,94)(H4,92,93,95)(H,111,128,133)/t43-,44+,55-,58-,59-,60+,61-,62+,63-,64-,65-,66-,69-,70+,71-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) preincubated for 15 mins foll...				J Med Chem 61: 9004-9029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00378 BindingDB Entry DOI: 10.7270/Q2N301BF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454853 (CHEMBL4205183) Show SMILES [H][C@]1(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@]([H])(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](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(C)C)C(C)C)[C@@H](C)CC)C(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C75H109N21O15S/c1-9-40(7)61-72(110)89-51(22-16-28-82-75(79)80)66(104)93-60(39(5)6)71(109)94-59(38(3)4)70(108)88-50(21-15-27-81-74(77)78)65(103)91-55(35-97)64(102)85-34-57(99)86-53(30-43-32-83-48-19-13-11-17-46(43)48)69(107)96-62(41(8)10-2)73(111)90-54(31-44-33-84-49-20-14-12-18-47(44)49)67(105)92-56(63(76)101)36-112-37-58(100)87-52(68(106)95-61)29-42-23-25-45(98)26-24-42/h11-14,17-20,23-26,32-33,38-41,50-56,59-62,83-84,97-98H,9-10,15-16,21-22,27-31,34-37H2,1-8H3,(H2,76,101)(H,85,102)(H,86,99)(H,87,100)(H,88,108)(H,89,110)(H,90,111)(H,91,103)(H,92,105)(H,93,104)(H,94,109)(H,95,106)(H,96,107)(H4,77,78,81)(H4,79,80,82)/t40-,41-,50-,51-,52+,53-,54-,55-,56-,59-,60-,61-,62-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	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	56	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	BDBM50513372 (CHEMBL4440395) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CCN3CCOCC3)c2)cn1 Show InChI InChI=1S/C29H35N7O2/c37-29-26-4-9-30-28(27(26)31-21-32-29)36-20-23(19-33-36)6-11-34-12-7-24(8-13-34)25-3-1-2-22(18-25)5-10-35-14-16-38-17-15-35/h1-4,9,18-21,24H,5-8,10-17H2,(H,31,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...				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))	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbi...				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))	BDBM50513371 (CHEMBL4438034) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccc(cc2)-c2cncnc2)cn1 Show InChI InChI=1S/C27H26N8O/c36-27-24-5-9-30-26(25(24)31-18-32-27)35-16-19(13-33-35)6-10-34-11-7-22(8-12-34)20-1-3-21(4-2-20)23-14-28-17-29-15-23/h1-5,9,13-18,22H,6-8,10-12H2,(H,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	BDBM50513351 (CHEMBL4516101) Show SMILES FC(F)(F)c1cc(CN2CCCC2)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C29H32F3N7O/c30-29(31,32)24-14-21(17-38-8-1-2-9-38)13-23(15-24)22-5-11-37(12-6-22)10-4-20-16-36-39(18-20)27-26-25(3-7-33-27)28(40)35-19-34-26/h3,7,13-16,18-19,22H,1-2,4-6,8-12,17H2,(H,34,35,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	BDBM50513374 (CHEMBL4466130) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccc(CCN3CCOCC3)cc2)cn1 Show InChI InChI=1S/C29H35N7O2/c37-29-26-5-10-30-28(27(26)31-21-32-29)36-20-23(19-33-36)7-12-34-13-8-25(9-14-34)24-3-1-22(2-4-24)6-11-35-15-17-38-18-16-35/h1-5,10,19-21,25H,6-9,11-18H2,(H,31,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	BDBM50153092 (CHEMBL3775894) Show SMILES Clc1cc(Cl)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...				J Med Chem 59: 1388-409 (2016) Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50454845 (CHEMBL4213743) Show SMILES [H][C@]1(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)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](NC1=O)C(C)C)C(C)C)C(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C70H110N20O15S/c1-11-39(10)57-68(105)89-56(38(8)9)66(103)83-46(19-15-25-77-70(74)75)60(97)82-45(18-14-24-76-69(72)73)61(98)86-51(32-91)59(96)79-31-53(93)80-47(26-35(2)3)64(101)88-55(37(6)7)67(104)85-50(29-41-30-78-44-17-13-12-16-43(41)44)63(100)87-52(58(71)95)33-106-34-54(94)81-49(28-40-20-22-42(92)23-21-40)62(99)84-48(27-36(4)5)65(102)90-57/h12-13,16-17,20-23,30,35-39,45-52,55-57,78,91-92H,11,14-15,18-19,24-29,31-34H2,1-10H3,(H2,71,95)(H,79,96)(H,80,93)(H,81,94)(H,82,97)(H,83,103)(H,84,99)(H,85,104)(H,86,98)(H,87,100)(H,88,101)(H,89,105)(H,90,102)(H4,72,73,76)(H4,74,75,77)/t39-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-,57-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	BDBM50454857 (CHEMBL4218482) Show SMILES [H][C@]1(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)C(C)C)C(C)C)[C@@H](C)CC |r| Show InChI InChI=1S/C69H106N18O15S/c1-9-39(8)57-67(101)81-48(30-41-31-75-44-17-11-10-16-43(41)44)62(96)83-51(58(71)92)34-103-35-54(91)78-49(29-40-21-23-42(89)24-22-40)68(102)87-27-15-20-52(87)64(98)79-45(18-12-13-25-70)61(95)84-56(38(6)7)66(100)85-55(37(4)5)65(99)80-46(19-14-26-74-69(72)73)60(94)82-50(33-88)59(93)76-32-53(90)77-47(28-36(2)3)63(97)86-57/h10-11,16-17,21-24,31,36-39,45-52,55-57,75,88-89H,9,12-15,18-20,25-30,32-35,70H2,1-8H3,(H2,71,92)(H,76,93)(H,77,90)(H,78,91)(H,79,98)(H,80,99)(H,81,101)(H,82,94)(H,83,96)(H,84,95)(H,85,100)(H,86,97)(H4,72,73,74)/t39-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-,57-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substra...				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))	BDBM50513352 (CHEMBL4592908) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1 Show InChI InChI=1S/C28H33N7O/c36-28-25-6-10-29-27(26(25)30-20-31-28)35-19-22(17-32-35)7-13-33-14-8-23(9-15-33)24-5-3-4-21(16-24)18-34-11-1-2-12-34/h3-6,10,16-17,19-20,23H,1-2,7-9,11-15,18H2,(H,30,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	BDBM50513354 (CHEMBL4558689) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(c2)-c2cncnc2)cn1 Show InChI InChI=1S/C27H26N8O/c36-27-24-4-8-30-26(25(24)31-18-32-27)35-16-19(13-33-35)5-9-34-10-6-20(7-11-34)21-2-1-3-22(12-21)23-14-28-17-29-15-23/h1-4,8,12-18,20H,5-7,9-11H2,(H,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	BDBM191600 (2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...) Show SMILES Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin)				Bioorg Med Chem Lett 28: 1490-1494 (2018) Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50153318 (CHEMBL3775237) Show SMILES OC(=O)c1ccncc1NCc1ccco1 Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM381985 (2-{1-[2-(pyrrolidin-1-yl)ethyl]- 1H-imidazol-4-yl}...) Show SMILES OC(=O)c1ccnc(c1)-c1cn(CCN2CCCC2)cn1 Show InChI InChI=1S/C15H18N4O2/c20-15(21)12-3-4-16-13(9-12)14-10-19(11-17-14)8-7-18-5-1-2-6-18/h3-4,9-11H,1-2,5-8H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...				J Med Chem 51: 5502-5 (2008) BindingDB Entry DOI: 10.7270/Q2DF6THR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM381980 (2-[1-[2-[(4-fluorophenyl)methyl- methylamino]ethyl...) Show SMILES CN(CCn1cnc(c1)-c1cc(ccn1)C(O)=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C19H19FN4O2/c1-23(11-14-2-4-16(20)5-3-14)8-9-24-12-18(22-13-24)17-10-15(19(25)26)6-7-21-17/h2-7,10,12-13H,8-9,11H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...				J Med Chem 51: 5502-5 (2008) BindingDB Entry DOI: 10.7270/Q2DF6THR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158693 (CHEMBL3787133 | US10273222, Example 1) Show SMILES Cn1cnc(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C10H9N3O2/c1-13-5-9(12-6-13)8-4-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...				J Med Chem 51: 5502-5 (2008) BindingDB Entry DOI: 10.7270/Q2DF6THR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM263974 (2-(5-(benzyloxy)-1H-pyrazol-1- yl)isonicotinic aci...) Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccccc1 Show InChI InChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The ability of test compounds to inhibit the activity of JMJD2A was determined in 38-well plate format under the following reaction conditions: 2 nM ...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q29Z9762
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM320446 (2-(3,4-difluorobenzyl)-1H- pyrrolo[3,2-b]pyridine-...) Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(F)c(F)c3)[nH]c12 Show InChI InChI=1S/C15H10F2N2O2/c16-11-2-1-8(6-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quantical Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...				US Patent US9738637 (2017) BindingDB Entry DOI: 10.7270/Q2VD71K6
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM320432 (2-(pyrrolidin-1-ylcarbonyl)-1H- pyrrolo[3,2-b]pyri...) Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(=O)N1CCCC1 Show InChI InChI=1S/C13H13N3O3/c17-12(16-5-1-2-6-16)10-7-9-11(15-10)8(13(18)19)3-4-14-9/h3-4,7,15H,1-2,5-6H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quantical Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...				US Patent US9738637 (2017) BindingDB Entry DOI: 10.7270/Q2VD71K6
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM320363 (2-(2-methylphenyl)-1H- pyrrolo[3,2-b]pyridine-7- c...) Show SMILES Cc1ccccc1-c1cc2nccc(C(O)=O)c2[nH]1 Show InChI InChI=1S/C15H12N2O2/c1-9-4-2-3-5-10(9)12-8-13-14(17-12)11(15(18)19)6-7-16-13/h2-8,17H,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quantical Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...				US Patent US9738637 (2017) BindingDB Entry DOI: 10.7270/Q2VD71K6
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged KDM4A (1 to 350 residues) expressed in Escherichia coli using methylated biotin-H3K9 substrate ...				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))	BDBM381989 (2-(1-{2-[2- (dimethylamino)ethoxy]ethyl}- 1H-imida...) Show SMILES CN(C)CCOCCn1cnc(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H20N4O3/c1-18(2)5-7-22-8-6-19-10-14(17-11-19)13-9-12(15(20)21)3-4-16-13/h3-4,9-11H,5-8H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...				J Med Chem 51: 5502-5 (2008) BindingDB Entry DOI: 10.7270/Q2DF6THR
					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	100	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...				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))	BDBM382007 (2-[1-[2-[methyl-[(4- methylphenyl)methyl]amino]eth...) Show SMILES CN(CCn1cnc(c1)-c1cc(ccn1)C(O)=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C20H22N4O2/c1-15-3-5-16(6-4-15)12-23(2)9-10-24-13-19(22-14-24)18-11-17(20(25)26)7-8-21-18/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...				J Med Chem 51: 5502-5 (2008) BindingDB Entry DOI: 10.7270/Q2DF6THR
					More data for this Ligand-Target Pair

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