BindingDB Reactant_set_id	Ligand SMILES	Ligand InChI	Ligand InChI Key	BindingDB MonomerID	BindingDB Ligand Name	Target Name	Target Source Organism According to Curator or DataSource	Ki (nM)	IC50 (nM)	Kd (nM)	EC50 (nM)	kon (M-1-s-1)	koff (s-1)	pH	Temp (C)	Curation/DataSource	Article DOI	BindingDB Entry DOI	PMID	PubChem AID	Patent Number	Authors	Institution	Link to Ligand in BindingDB	Link to Target in BindingDB	Link to Ligand-Target Pair in BindingDB	Ligand HET ID in PDB	PDB ID(s) for Ligand-Target Complex	PubChem CID of Ligand	PubChem SID of Ligand	ChEBI ID of Ligand	ChEMBL ID of Ligand	DrugBank ID of Ligand	IUPHAR_GRAC ID of Ligand	KEGG ID of Ligand	ZINC ID of Ligand	Number of Protein Chains in Target (>1 implies a multichain complex)	BindingDB Target Chain Sequence	PDB ID(s) of Target Chain	UniProt (SwissProt) Recommended Name of Target Chain	UniProt (SwissProt) Entry Name of Target Chain	UniProt (SwissProt) Primary ID of Target Chain	UniProt (SwissProt) Secondary ID(s) of Target Chain	UniProt (SwissProt) Alternative ID(s) of Target Chain	UniProt (TrEMBL) Submitted Name of Target Chain	UniProt (TrEMBL) Entry Name of Target Chain	UniProt (TrEMBL) Primary ID of Target Chain	UniProt (TrEMBL) Secondary ID(s) of Target Chain	UniProt (TrEMBL) Alternative ID(s) of Target Chain
553899	CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1			155253	US10098888, Compound 1::US9006242, 1	Histone H3.1 [22-45]			<5							US Patent		10.7270/Q2BK1FDQ		aid1795834	US10098888	Kuntz, KW; Campbell, JE; Seki, M	Epizyme Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155253	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=455&target=Histone+H3.1+%5B22-45%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155253&enzyme=Histone+H3.1+%5B22-45%5D&column=ki&startPg=0&Increment=50&submit=Search			91971491	253658255							1	ATKAARKSAPATGGVKKPHRYRPGGK		Histone H3.1	H31_HUMAN	P68431	A0PJT7 A5PLR1 P02295 P02296 P16106 Q6ISV8 Q6NWP8 Q6NWP9 Q6NXU4 Q71DJ3 Q93081						
553900	CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1			155254	US10098888, Compound 2::US9006242, 2	Histone H3.1 [22-45]			 15							US Patent		10.7270/Q2BK1FDQ		aid1795834	US10098888	Kuntz, KW; Campbell, JE; Seki, M	Epizyme Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155254	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=455&target=Histone+H3.1+%5B22-45%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155254&enzyme=Histone+H3.1+%5B22-45%5D&column=ki&startPg=0&Increment=50&submit=Search			91971492	253658256							1	ATKAARKSAPATGGVKKPHRYRPGGK		Histone H3.1	H31_HUMAN	P68431	A0PJT7 A5PLR1 P02295 P02296 P16106 Q6ISV8 Q6NWP8 Q6NWP9 Q6NXU4 Q71DJ3 Q93081						
553901	CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1	InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)	ZXYWTCVDQLRSRJ-UHFFFAOYSA-N	155255	US10098888, Compound 105::US11642348, Compound 105::US9006242, 105	Histone H3.1 [22-45]			 8.4							US Patent		10.7270/Q2BK1FDQ		aid1795834	US10098888	Kuntz, KW; Campbell, JE; Seki, M	Epizyme Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155255	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=455&target=Histone+H3.1+%5B22-45%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=155255&enzyme=Histone+H3.1+%5B22-45%5D&column=ki&startPg=0&Increment=50&submit=Search			91971493	253658257							1	ATKAARKSAPATGGVKKPHRYRPGGK		Histone H3.1	H31_HUMAN	P68431	A0PJT7 A5PLR1 P02295 P02296 P16106 Q6ISV8 Q6NWP8 Q6NWP9 Q6NXU4 Q71DJ3 Q93081