Compile Data Set for Download or QSAR

Found 365 hits with Last Name = 'duan' and Initial = 'yc'   

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
Polycomb protein EED (Homo sapiens (Human))	BDBM50594944 (CHEMBL5181703) Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM223986 ((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polycomb protein EED (Homo sapiens (Human))	BDBM50594938 (CHEMBL5201204) Show SMILES [2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1c2CCOc2ccc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594938 (CHEMBL5201204) Show SMILES [2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1c2CCOc2ccc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM291687 (N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polycomb protein EED (Homo sapiens (Human))	BDBM50594945 (CHEMBL5180485) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COc2ccc(OCCNC(=O)CCc3ccc(c(N)n3)-c3cnc(NCc4c5CCOc5ccc4F)n4cnnc34)cc2)C(C)(C)C)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50562610 (CHEMBL4779022) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50569836 (CHEMBL4850926) Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278274 (CHEMBL4166084) Show SMILES ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-23)11-10-14-6-8-15(9-7-14)13-20-18-12-17(18)16-4-2-1-3-5-16/h1-11,17-18,20,23H,12-13H2,(H,21,22)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50582469 (CHEMBL5087997) Show SMILES ONC(=O)c1ccc(\C=C\c2cncc(c2)-c2ccccc2O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50582458 (CHEMBL5083395) Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cccnc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50582461 (CHEMBL5093633) Show SMILES Cc1ccc(c(F)c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged human HDAC1 expressed in baculovirus expression system using Ac-peptide substrate incu...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50582461 (CHEMBL5093633) Show SMILES Cc1ccc(c(F)c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged human HDAC1 expressed in baculovirus expression system using Ac-peptide substrate incu...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC2 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based micr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM50594944 (CHEMBL5181703) Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50582456 (CHEMBL5081674) Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cccc(O)c2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594928 (CHEMBL5171195) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:7| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594929 (CHEMBL5173010) Show SMILES CCS(=O)(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:8| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594930 (CHEMBL5188142) Show SMILES CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594931 (CHEMBL5169768) Show SMILES CC(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:6| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50569836 (CHEMBL4850926) Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50569836 (CHEMBL4850926) Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50569836 (CHEMBL4850926) Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50569836 (CHEMBL4850926) Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50569836 (CHEMBL4850926) Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50611346 (CHEMBL5266070) Show SMILES CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(=O)NCCCOCCOCCOCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)C1CC1 |(-11.52,3.67,;-10.07,4.21,;-8.89,3.22,;-7.39,3.6,;-6.57,2.3,;-7.56,1.11,;-8.99,1.69,;-10.29,.86,;-10.23,-.67,;-8.87,-1.39,;-8.81,-2.93,;-10.11,-3.75,;-11.48,-3.03,;-12.92,-3.57,;-13.87,-2.36,;-15.41,-2.26,;-16.09,-.87,;-17.63,-.77,;-18.61,-1.96,;-18.23,-3.45,;-20.04,-1.38,;-19.94,.15,;-18.45,.53,;-17.88,1.96,;-15.23,.41,;-15.91,1.79,;-15.06,3.07,;-13.7,.3,;-13.02,-1.08,;-11.53,-1.5,;-7.45,-3.65,;-7.39,-5.19,;-6.14,-2.83,;-4.78,-3.55,;-3.48,-2.72,;-2.12,-3.44,;-.81,-2.62,;.55,-3.34,;1.85,-2.52,;3.21,-3.24,;4.52,-2.41,;5.88,-3.13,;7.18,-2.31,;8.55,-3.03,;9.85,-2.21,;11.21,-2.92,;12.51,-2.1,;13.88,-2.82,;13.94,-4.36,;15.3,-5.08,;16.6,-4.26,;16.54,-2.72,;17.65,-1.64,;19.16,-1.91,;16.96,-.26,;17.68,1.1,;16.86,2.4,;17.58,3.77,;19.12,3.83,;19.84,5.19,;19.94,2.52,;19.22,1.16,;20.04,-.14,;15.44,-.48,;14.37,.62,;15.18,-2,;-5.04,2.2,;-3.76,1.34,;-3.66,2.88,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length human HDAC2 expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mi...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50278274 (CHEMBL4166084) Show SMILES ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-23)11-10-14-6-8-15(9-7-14)13-20-18-12-17(18)16-4-2-1-3-5-16/h1-11,17-18,20,23H,12-13H2,(H,21,22)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length human HDAC2 expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mi...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50582455 (CHEMBL5081128) Show SMILES COc1ccccc1-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length human HDAC2 expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mi...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50582457 (CHEMBL5087466) Show SMILES OCc1cccc(c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50582454 (CHEMBL5075646) Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2ccccc2O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50582467 (CHEMBL5085680) Show SMILES ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2ccsc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM291687 (N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50582470 (CHEMBL5081983) Show SMILES COc1ccc(F)cc1-c1cncc(\C=C\c2ccc(cc2)C(=O)NO)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113453 BindingDB Entry DOI: 10.7270/Q2F47T12
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of MAOB (unknown origin) using beetle luciferin as substrate by MAO-Glo assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594935 (CHEMBL5205261) Show SMILES CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)c2nncn12 |c:4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594936 (CHEMBL5206890) Show SMILES Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)n2cc(nc12)C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594937 (CHEMBL5180270) Show SMILES Cc1cc(-c2cnc(NCC3Cc4cc(F)ccc4O3)n3cc(nc23)C#N)n(C)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594933 (CHEMBL5193972) Show SMILES CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12 |c:4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594934 (CHEMBL5171965) Show SMILES Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2nncn12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594932 (CHEMBL5203240) Show SMILES Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair

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