Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50003331   

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
Histone acetyltransferase (Tetrahymena thermophila (strain SB210))	BDBM50470511 (CHEMBL4279596) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(C)=O)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(O)=O |r| Show InChI InChI=1S/C116H205N42O45P3S/c1-57(2)48-74(112(190)191)152-101(180)72(32-34-78(120)164)148-96(175)66(24-12-16-37-117)146-99(178)70(29-21-42-133-114(125)126)150-105(184)76-31-23-46-157(76)110(189)60(5)142-95(174)65(27-15-19-40-129-83(169)53-207-47-45-130-80(166)36-44-131-109(188)90(171)116(10,11)54-200-206(197,198)203-205(195,196)199-52-77-89(202-204(192,193)194)88(170)111(201-77)158-56-139-87-91(122)137-55-138-92(87)158)143-82(168)50-135-81(167)49-136-106(185)84(61(6)160)154-104(183)75(51-159)153-100(179)67(25-13-17-38-118)147-98(177)69(28-20-41-132-113(123)124)144-94(173)59(4)141-107(186)85(62(7)161)155-103(182)73(33-35-79(121)165)149-97(176)68(26-14-18-39-119)151-108(187)86(63(8)162)156-102(181)71(30-22-43-134-115(127)128)145-93(172)58(3)140-64(9)163/h55-63,65-77,84-86,88-90,111,159-162,170-171H,12-54,117-119H2,1-11H3,(H2,120,164)(H2,121,165)(H,129,169)(H,130,166)(H,131,188)(H,135,167)(H,136,185)(H,140,163)(H,141,186)(H,142,174)(H,143,168)(H,144,173)(H,145,172)(H,146,178)(H,147,177)(H,148,175)(H,149,176)(H,150,184)(H,151,187)(H,152,180)(H,153,179)(H,154,183)(H,155,182)(H,156,181)(H,190,191)(H,195,196)(H,197,198)(H2,122,137,138)(H4,123,124,132)(H4,125,126,133)(H4,127,128,134)(H2,192,193,194)/t58-,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77-,84+,85+,86+,88-,89-,90+,111-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Tetrahymena Gcn5 (48 to 210 residues) using histone (3 to 20 residues) peptide substrate in presence of [14C]acetyl CoA by phosphor ima...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470498 (CHEMBL4282866) Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C19H20N2O2S2/c1-3-21(4-2)25(22,23)16-12-9-15(10-13-16)11-14-19-20-17-7-5-6-8-18(17)24-19/h5-14H,3-4H2,1-2H3/b14-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470503 (CHEMBL4288384) Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3ccc(F)cc3s2)cc1 Show InChI InChI=1S/C19H19FN2O2S2/c1-3-22(4-2)26(23,24)16-9-5-14(6-10-16)7-12-19-21-17-11-8-15(20)13-18(17)25-19/h5-13H,3-4H2,1-2H3/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470501 (CHEMBL4290743) Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3cc(C)c(C)cc3s2)cc1 Show InChI InChI=1S/C21H24N2O2S2/c1-5-23(6-2)27(24,25)18-10-7-17(8-11-18)9-12-21-22-19-13-15(3)16(4)14-20(19)26-21/h7-14H,5-6H2,1-4H3/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470507 (CHEMBL4291382) Show SMILES O=C(Cc1cccc2ccccc12)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 Show InChI InChI=1S/C25H23N3O2S2/c29-23(14-18-8-5-7-17-6-1-2-9-20(17)18)26-19-10-11-21-22(15-19)32-25(27-21)31-16-24(30)28-12-3-4-13-28/h1-2,5-11,15H,3-4,12-14,16H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50360449 (CHEMBL1215739 | MG-149) Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1 Show InChI InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470506 (CHEMBL4280076) Show SMILES Cc1ccc(o1)-c1cc(C(O)=O)c2cc3c(cc(nc3cc2n1)-c1ccc(C)o1)C(O)=O Show InChI InChI=1S/C24H16N2O6/c1-11-3-5-21(31-11)19-8-15(23(27)28)13-7-14-16(24(29)30)9-20(22-6-4-12(2)32-22)26-18(14)10-17(13)25-19/h3-10H,1-2H3,(H,27,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470504 (CHEMBL4286898) Show SMILES CCc1nnc(NC(=O)CCSCCC(=O)Nc2nnc(CC)s2)s1 Show InChI InChI=1S/C14H20N6O2S3/c1-3-11-17-19-13(24-11)15-9(21)5-7-23-8-6-10(22)16-14-20-18-12(4-2)25-14/h3-8H2,1-2H3,(H,15,19,21)(H,16,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470505 (CHEMBL4279641) Show SMILES Oc1cc(O)c2sc3nc(cc(-c4cccs4)c3c2n1)-c1cccs1 Show InChI InChI=1S/C18H10N2O2S3/c21-11-8-14(22)20-16-15-9(12-3-1-5-23-12)7-10(13-4-2-6-24-13)19-18(15)25-17(11)16/h1-8H,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470510 (CHEMBL4290304) Show SMILES CC1CCc2c(C1)sc1nnn(CC(=O)Nc3cccc4ccccc34)c(=O)c21 Show InChI InChI=1S/C22H20N4O2S/c1-13-9-10-16-18(11-13)29-21-20(16)22(28)26(25-24-21)12-19(27)23-17-8-4-6-14-5-2-3-7-15(14)17/h2-8,13H,9-12H2,1H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50140172 (CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...) Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of p300/CBP (unknown origin)				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50360449 (CHEMBL1215739 | MG-149) Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1 Show InChI InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470509 (CHEMBL4294792) Show SMILES Cc1ccc(cc1)C1N(Cc2ccco2)C(=O)C(O)=C1C(=O)c1cc2ccccc2o1 |c:20| Show InChI InChI=1S/C25H19NO5/c1-15-8-10-16(11-9-15)22-21(23(27)20-13-17-5-2-3-7-19(17)31-20)24(28)25(29)26(22)14-18-6-4-12-30-18/h2-13,22,28H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470502 (CHEMBL4280681) Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3cc(Cl)ccc3s2)cc1 Show InChI InChI=1S/C19H19ClN2O2S2/c1-3-22(4-2)26(23,24)16-9-5-14(6-10-16)7-12-19-21-17-13-15(20)8-11-18(17)25-19/h5-13H,3-4H2,1-2H3/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470499 (CHEMBL4294738) Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3cc(Br)ccc3s2)cc1 Show InChI InChI=1S/C19H19BrN2O2S2/c1-3-22(4-2)26(23,24)16-9-5-14(6-10-16)7-12-19-21-17-13-15(20)8-11-18(17)25-19/h5-13H,3-4H2,1-2H3/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470500 (CHEMBL4291334) Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3cc(F)ccc3s2)cc1 Show InChI InChI=1S/C19H19FN2O2S2/c1-3-22(4-2)26(23,24)16-9-5-14(6-10-16)7-12-19-21-17-13-15(20)8-11-18(17)25-19/h5-13H,3-4H2,1-2H3/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470508 (CHEMBL4287978) Show SMILES OC(=O)CNC(=O)CSc1nc(cc(-c2ccccc2)c1C#N)-c1cccs1 Show InChI InChI=1S/C20H15N3O3S2/c21-10-15-14(13-5-2-1-3-6-13)9-16(17-7-4-8-27-17)23-20(15)28-12-18(24)22-11-19(25)26/h1-9H,11-12H2,(H,22,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50470498 (CHEMBL4282866) Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C19H20N2O2S2/c1-3-21(4-2)25(22,23)16-12-9-15(10-13-16)11-14-19-20-17-7-5-6-8-18(17)24-19/h5-14H,3-4H2,1-2H3/b14-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DNMT1 (unknown origin)				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2A (Homo sapiens (Human))	BDBM50467835 (CHEMBL217676) Show SMILES CCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O |r| Show InChI InChI=1S/C9H12O4/c1-3-4-6-7(8(10)11)5(2)9(12)13-6/h6-7H,2-4H2,1H3,(H,10,11)/t6-,7+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged Gcn5 using H3 as substrate in presence of [3H]-acetyl-CoA by phosphor image analysis				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 (Homo sapiens)	BDBM50470498 (CHEMBL4282866) Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C19H20N2O2S2/c1-3-21(4-2)25(22,23)16-12-9-15(10-13-16)11-14-19-20-17-7-5-6-8-18(17)24-19/h5-14H,3-4H2,1-2H3/b14-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PRMT1 (unknown origin)				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50470498 (CHEMBL4282866) Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C19H20N2O2S2/c1-3-21(4-2)25(22,23)16-12-9-15(10-13-16)11-14-19-20-17-7-5-6-8-18(17)24-19/h5-14H,3-4H2,1-2H3/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50470500 (CHEMBL4291334) Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3cc(F)ccc3s2)cc1 Show InChI InChI=1S/C19H19FN2O2S2/c1-3-22(4-2)26(23,24)16-9-5-14(6-10-16)7-12-19-21-17-13-15(20)8-11-18(17)25-19/h5-13H,3-4H2,1-2H3/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to human His-tagged MOF by SPR analysis				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
					More data for this Ligand-Target Pair