Compile Data Set for Download or QSAR

Found 313 hits with Last Name = 'xiu' and Initial = 'z'   

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 deacetylase 2 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Fumarate reductase (Ascaris suum)	BDBM50198747 (CHEMBL3903155) Show SMILES [H][C@]12OC(=O)[C@](C)(C(=O)[C@@H]1C)[C@]2(C)\C=C(/C)\C=C\C=C\C=C\C=C(/C)[C@@H]1O[C@H](C)[C@](C)(O)C=C1C |r,c:34,TLB:13:11:3.2:9.7,4:3:11:9.7,8:7:3.2:11,THB:12:11:3.2:9.7| Show InChI InChI=1S/C29H38O5/c1-18(16-27(6)25-21(4)24(30)29(27,8)26(31)34-25)14-12-10-9-11-13-15-19(2)23-20(3)17-28(7,32)22(5)33-23/h9-17,21-23,25,32H,1-8H3/b10-9+,13-11+,14-12+,18-16+,19-15+/t21-,22+,23-,25-,27+,28+,29-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft...				Bioorg Med Chem Lett 26: 5328-5333 (2016) Article DOI: 10.1016/j.bmcl.2016.09.032 BindingDB Entry DOI: 10.7270/Q2BV7JK7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381683 (CHEMBL2022825) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1nc(cs1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C30H32N4O3S3/c35-28(34-29-32-26(22-38-29)24-15-7-4-8-16-24)25(33-30(36)37-21-23-13-5-3-6-14-23)17-9-1-2-12-20-39-40-27-18-10-11-19-31-27/h3-8,10-11,13-16,18-19,22,25H,1-2,9,12,17,20-21H2,(H,33,36)(H,32,34,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381683 (CHEMBL2022825) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1nc(cs1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C30H32N4O3S3/c35-28(34-29-32-26(22-38-29)24-15-7-4-8-16-24)25(33-30(36)37-21-23-13-5-3-6-14-23)17-9-1-2-12-20-39-40-27-18-10-11-19-31-27/h3-8,10-11,13-16,18-19,22,25H,1-2,9,12,17,20-21H2,(H,33,36)(H,32,34,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381687 (CHEMBL2022829) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCC1c2ccccc2-c2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C35H36N2O4S2/c38-34(40-25-31-29-18-9-7-16-27(29)28-17-8-10-19-30(28)31)32(37-35(39)41-24-26-14-4-3-5-15-26)20-6-1-2-13-23-42-43-33-21-11-12-22-36-33/h3-5,7-12,14-19,21-22,31-32H,1-2,6,13,20,23-25H2,(H,37,39)/t32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381687 (CHEMBL2022829) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCC1c2ccccc2-c2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C35H36N2O4S2/c38-34(40-25-31-29-18-9-7-16-27(29)28-17-8-10-19-30(28)31)32(37-35(39)41-24-26-14-4-3-5-15-26)20-6-1-2-13-23-42-43-33-21-11-12-22-36-33/h3-5,7-12,14-19,21-22,31-32H,1-2,6,13,20,23-25H2,(H,37,39)/t32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50260962 (CHEMBL4075185) Show SMILES CC(=O)Oc1cc(-c2ccccc2)n(c1)C(C)=O Show InChI InChI=1S/C14H13NO3/c1-10(16)15-9-13(18-11(2)17)8-14(15)12-6-4-3-5-7-12/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Center for Pharmacological Evaluation and Research, Shanghai Institute of Pharmaceutical Industry, 1111 Zhongshan North Road, Shanghai 200437, PR China; Changchun BC&HC Pharmaceutical Technology Curated by ChEMBL					Assay Description Inhibition of AR in Sprague-Dawley rat lens using DL-glyceraldehyde as substrate by spectrophotometric analysis				Bioorg Med Chem Lett 27: 4482-4487 (2017) Article DOI: 10.1016/j.bmcl.2017.08.002 BindingDB Entry DOI: 10.7270/Q2HX1G4J
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM576390 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)CC2CC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381681 (CHEMBL2022823) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1cccc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C31H33N3O3S2/c35-30(33-27-19-12-16-25-15-7-8-17-26(25)27)28(34-31(36)37-23-24-13-4-3-5-14-24)18-6-1-2-11-22-38-39-29-20-9-10-21-32-29/h3-5,7-10,12-17,19-21,28H,1-2,6,11,18,22-23H2,(H,33,35)(H,34,36)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.2	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381678 (CHEMBL2022833) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1cccc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O4S2/c35-31(37-24-27-17-12-16-26-15-7-8-18-28(26)27)29(34-32(36)38-23-25-13-4-3-5-14-25)19-6-1-2-11-22-39-40-30-20-9-10-21-33-30/h3-5,7-10,12-18,20-21,29H,1-2,6,11,19,22-24H2,(H,34,36)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.6	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381690 (CHEMBL2022832) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc2ccccc2c1)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O4S2/c35-31(37-24-26-18-19-27-14-7-8-15-28(27)22-26)29(34-32(36)38-23-25-12-4-3-5-13-25)16-6-1-2-11-21-39-40-30-17-9-10-20-33-30/h3-5,7-10,12-15,17-20,22,29H,1-2,6,11,16,21,23-24H2,(H,34,36)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40.3	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381680 (CHEMBL2021937) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc(cc1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C34H36N2O4S2/c37-33(39-25-28-19-21-30(22-20-28)29-15-7-4-8-16-29)31(36-34(38)40-26-27-13-5-3-6-14-27)17-9-1-2-12-24-41-42-32-18-10-11-23-35-32/h3-8,10-11,13-16,18-23,31H,1-2,9,12,17,24-26H2,(H,36,38)/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40.7	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381679 (CHEMBL2022834) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1c2ccccc2cc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C36H36N2O4S2/c39-35(41-26-32-30-18-9-7-16-28(30)24-29-17-8-10-19-31(29)32)33(38-36(40)42-25-27-14-4-3-5-15-27)20-6-1-2-13-23-43-44-34-21-11-12-22-37-34/h3-5,7-12,14-19,21-22,24,33H,1-2,6,13,20,23,25-26H2,(H,38,40)/t33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43.6	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381682 (CHEMBL2022824) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)NC1CCCCC1)OCc1ccccc1 |r| Show InChI InChI=1S/C27H37N3O3S2/c31-26(29-23-15-7-4-8-16-23)24(30-27(32)33-21-22-13-5-3-6-14-22)17-9-1-2-12-20-34-35-25-18-10-11-19-28-25/h3,5-6,10-11,13-14,18-19,23-24H,1-2,4,7-9,12,15-17,20-21H2,(H,29,31)(H,30,32)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	44.1	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576390 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)CC2CC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381684 (CHEMBL2022826) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S2/c37-32(35-29-20-11-10-19-28(29)27-17-7-4-8-18-27)30(36-33(38)39-25-26-15-5-3-6-16-26)21-9-1-2-14-24-40-41-31-22-12-13-23-34-31/h3-8,10-13,15-20,22-23,30H,1-2,9,14,21,24-25H2,(H,35,37)(H,36,38)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45.2	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381688 (CHEMBL2022830) Show SMILES [O-][N+](=O)c1ccc(COC(=O)[C@H](CCCCCCSSc2ccccn2)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H31N3O6S2/c32-27(36-20-23-14-16-24(17-15-23)31(34)35)25(30-28(33)37-21-22-10-4-3-5-11-22)12-6-1-2-9-19-38-39-26-13-7-8-18-29-26/h3-5,7-8,10-11,13-18,25H,1-2,6,9,12,19-21H2,(H,30,33)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45.5	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381685 (CHEMBL2022827) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccc(cc1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S2/c37-32(35-29-21-19-28(20-22-29)27-15-7-4-8-16-27)30(36-33(38)39-25-26-13-5-3-6-14-26)17-9-1-2-12-24-40-41-31-18-10-11-23-34-31/h3-8,10-11,13-16,18-23,30H,1-2,9,12,17,24-25H2,(H,35,37)(H,36,38)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46.6	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381686 (CHEMBL2022828) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)NC1c2ccccc2-c2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C34H35N3O3S2/c38-33(37-32-28-18-9-7-16-26(28)27-17-8-10-19-29(27)32)30(36-34(39)40-24-25-14-4-3-5-15-25)20-6-1-2-13-23-41-42-31-21-11-12-22-35-31/h3-5,7-12,14-19,21-22,30,32H,1-2,6,13,20,23-24H2,(H,36,39)(H,37,38)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	48.1	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50381689 (CHEMBL2022831) Show SMILES [O-][N+](=O)c1cccc(COC(=O)[C@H](CCCCCCSSc2ccccn2)NC(=O)OCc2ccccc2)c1 |r| Show InChI InChI=1S/C28H31N3O6S2/c32-27(36-21-23-13-10-14-24(19-23)31(34)35)25(30-28(33)37-20-22-11-4-3-5-12-22)15-6-1-2-9-18-38-39-26-16-7-8-17-29-26/h3-5,7-8,10-14,16-17,19,25H,1-2,6,9,15,18,20-21H2,(H,30,33)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48.5	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576392 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)[C@H]1C[C@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@](=O)CC2CC2)C1 |r,wU:12.34,14.18,wD:10.11,24.27,(-4.5,4.71,;-3.17,5.48,;-3.17,7.02,;-1.83,7.79,;-.5,7.02,;.97,7.5,;1.87,6.25,;.97,5.01,;-.5,5.48,;-1.83,4.71,;3.41,6.25,;4.5,5.17,;5.59,6.25,;6.68,5.17,;7.77,6.25,;6.68,7.34,;9.31,6.25,;10.08,7.59,;9.31,8.92,;11.62,7.59,;12.52,6.34,;13.99,6.82,;13.99,8.36,;12.52,8.83,;15.23,9.26,;15.23,10.8,;16.57,8.49,;17.9,9.26,;18.53,10.67,;19.43,9.42,;4.5,7.34,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381679 (CHEMBL2022834) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1c2ccccc2cc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C36H36N2O4S2/c39-35(41-26-32-30-18-9-7-16-28(30)24-29-17-8-10-19-31(29)32)33(38-36(40)42-25-27-14-4-3-5-15-27)20-6-1-2-13-23-43-44-34-21-11-12-22-37-34/h3-5,7-12,14-19,21-22,24,33H,1-2,6,13,20,23,25-26H2,(H,38,40)/t33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59.2	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381680 (CHEMBL2021937) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc(cc1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C34H36N2O4S2/c37-33(39-25-28-19-21-30(22-20-28)29-15-7-4-8-16-29)31(36-34(38)40-26-27-13-5-3-6-14-27)17-9-1-2-12-24-41-42-32-18-10-11-23-35-32/h3-8,10-11,13-16,18-23,31H,1-2,9,12,17,24-26H2,(H,36,38)/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64.1	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381688 (CHEMBL2022830) Show SMILES [O-][N+](=O)c1ccc(COC(=O)[C@H](CCCCCCSSc2ccccn2)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H31N3O6S2/c32-27(36-20-23-14-16-24(17-15-23)31(34)35)25(30-28(33)37-21-22-10-4-3-5-11-22)12-6-1-2-9-19-38-39-26-13-7-8-18-29-26/h3-5,7-8,10-11,13-18,25H,1-2,6,9,12,19-21H2,(H,30,33)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64.4	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381678 (CHEMBL2022833) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1cccc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O4S2/c35-31(37-24-27-17-12-16-26-15-7-8-18-28(26)27)29(34-32(36)38-23-25-13-4-3-5-14-25)19-6-1-2-11-22-39-40-30-20-9-10-21-33-30/h3-5,7-10,12-18,20-21,29H,1-2,6,11,19,22-24H2,(H,34,36)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64.7	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381690 (CHEMBL2022832) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc2ccccc2c1)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O4S2/c35-31(37-24-26-18-19-27-14-7-8-15-28(27)22-26)29(34-32(36)38-23-25-12-4-3-5-13-25)16-6-1-2-11-21-39-40-30-17-9-10-20-33-30/h3-5,7-10,12-15,17-20,22,29H,1-2,6,11,16,21,23-24H2,(H,34,36)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65.2	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381681 (CHEMBL2022823) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1cccc2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C31H33N3O3S2/c35-30(33-27-19-12-16-25-15-7-8-17-26(25)27)28(34-31(36)37-23-24-13-4-3-5-14-24)18-6-1-2-11-22-38-39-29-20-9-10-21-32-29/h3-5,7-10,12-17,19-21,28H,1-2,6,11,18,22-23H2,(H,33,35)(H,34,36)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65.2	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381689 (CHEMBL2022831) Show SMILES [O-][N+](=O)c1cccc(COC(=O)[C@H](CCCCCCSSc2ccccn2)NC(=O)OCc2ccccc2)c1 |r| Show InChI InChI=1S/C28H31N3O6S2/c32-27(36-21-23-13-10-14-24(19-23)31(34)35)25(30-28(33)37-20-22-11-4-3-5-12-22)15-6-1-2-9-18-38-39-26-16-7-8-17-29-26/h3-5,7-8,10-14,16-17,19,25H,1-2,6,9,15,18,20-21H2,(H,30,33)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66.7	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381682 (CHEMBL2022824) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)NC1CCCCC1)OCc1ccccc1 |r| Show InChI InChI=1S/C27H37N3O3S2/c31-26(29-23-15-7-4-8-16-23)24(30-27(32)33-21-22-13-5-3-6-14-22)17-9-1-2-12-20-34-35-25-18-10-11-19-28-25/h3,5-6,10-11,13-14,18-19,23-24H,1-2,4,7-9,12,15-17,20-21H2,(H,29,31)(H,30,32)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	66.9	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576391 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)[C@H]1C[C@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@@](=O)CC2CC2)C1 |r,wU:12.34,14.18,24.27,wD:10.11,(-4.5,4.71,;-3.17,5.48,;-3.17,7.02,;-1.83,7.79,;-.5,7.02,;.97,7.5,;1.87,6.25,;.97,5.01,;-.5,5.48,;-1.83,4.71,;3.41,6.25,;4.5,5.17,;5.59,6.25,;6.68,5.17,;7.77,6.25,;6.68,7.34,;9.31,6.25,;10.08,7.59,;9.31,8.92,;11.62,7.59,;12.52,6.34,;13.99,6.82,;13.99,8.36,;12.52,8.83,;15.23,9.26,;15.23,10.8,;16.57,8.49,;17.9,9.26,;18.53,10.67,;19.43,9.42,;4.5,7.34,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381686 (CHEMBL2022828) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)NC1c2ccccc2-c2ccccc12)OCc1ccccc1 |r| Show InChI InChI=1S/C34H35N3O3S2/c38-33(37-32-28-18-9-7-16-26(28)27-17-8-10-19-29(27)32)30(36-34(39)40-24-25-14-4-3-5-15-25)20-6-1-2-13-23-41-42-31-21-11-12-22-35-31/h3-5,7-12,14-19,21-22,30,32H,1-2,6,13,20,23-24H2,(H,36,39)(H,37,38)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	68.2	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381685 (CHEMBL2022827) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccc(cc1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S2/c37-32(35-29-21-19-28(20-22-29)27-15-7-4-8-16-27)30(36-33(38)39-25-26-13-5-3-6-14-26)17-9-1-2-12-24-40-41-31-18-10-11-23-34-31/h3-8,10-11,13-16,18-23,30H,1-2,9,12,17,24-25H2,(H,35,37)(H,36,38)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70.9	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM576392 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)[C@H]1C[C@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@](=O)CC2CC2)C1 |r,wU:12.34,14.18,wD:10.11,24.27,(-4.5,4.71,;-3.17,5.48,;-3.17,7.02,;-1.83,7.79,;-.5,7.02,;.97,7.5,;1.87,6.25,;.97,5.01,;-.5,5.48,;-1.83,4.71,;3.41,6.25,;4.5,5.17,;5.59,6.25,;6.68,5.17,;7.77,6.25,;6.68,7.34,;9.31,6.25,;10.08,7.59,;9.31,8.92,;11.62,7.59,;12.52,6.34,;13.99,6.82,;13.99,8.36,;12.52,8.83,;15.23,9.26,;15.23,10.8,;16.57,8.49,;17.9,9.26,;18.53,10.67,;19.43,9.42,;4.5,7.34,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50381684 (CHEMBL2022826) Show SMILES O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S2/c37-32(35-29-20-11-10-19-28(29)27-17-7-4-8-18-27)30(36-33(38)39-25-26-15-5-3-6-16-26)21-9-1-2-14-24-40-41-31-22-12-13-23-34-31/h3-8,10-13,15-20,22-23,30H,1-2,9,14,21,24-25H2,(H,35,37)(H,36,38)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71.2	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay				Eur J Med Chem 52: 111-22 (2012) Article DOI: 10.1016/j.ejmech.2012.03.009 BindingDB Entry DOI: 10.7270/Q23R0TV8
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM576391 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)[C@H]1C[C@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@@](=O)CC2CC2)C1 |r,wU:12.34,14.18,24.27,wD:10.11,(-4.5,4.71,;-3.17,5.48,;-3.17,7.02,;-1.83,7.79,;-.5,7.02,;.97,7.5,;1.87,6.25,;.97,5.01,;-.5,5.48,;-1.83,4.71,;3.41,6.25,;4.5,5.17,;5.59,6.25,;6.68,5.17,;7.77,6.25,;6.68,7.34,;9.31,6.25,;10.08,7.59,;9.31,8.92,;11.62,7.59,;12.52,6.34,;13.99,6.82,;13.99,8.36,;12.52,8.83,;15.23,9.26,;15.23,10.8,;16.57,8.49,;17.9,9.26,;18.53,10.67,;19.43,9.42,;4.5,7.34,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Center for Pharmacological Evaluation and Research, Shanghai Institute of Pharmaceutical Industry, 1111 Zhongshan North Road, Shanghai 200437, PR China; Changchun BC&HC Pharmaceutical Technology Curated by ChEMBL					Assay Description Inhibition of aldose reductase (unknown origin)				Bioorg Med Chem Lett 27: 4482-4487 (2017) Article DOI: 10.1016/j.bmcl.2017.08.002 BindingDB Entry DOI: 10.7270/Q2HX1G4J
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576388 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)C2CC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576395 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)CC2CC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM576388 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)C2CC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576331 (WO2022112188, Example 13) Show SMILES Clc1ccc2sc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)C2CC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112188	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q24M97T4
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM576395 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)CC2CC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	445	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
Fumarate reductase (Ascaris suum)	BDBM50198745 (CHEMBL3931142) Show SMILES [H][C@]12OC(=O)[C@](C)(C(=O)[C@@H]1C)[C@]2(C)\C=C(/C)\C=C\C=C\C=C\C=C(/C)[C@H]1O[C@H](C)[C@](C)(O)C=C1C |r,c:34,TLB:13:11:3.2:9.7,4:3:11:9.7,8:7:3.2:11,THB:12:11:3.2:9.7| Show InChI InChI=1S/C29H38O5/c1-18(16-27(6)25-21(4)24(30)29(27,8)26(31)34-25)14-12-10-9-11-13-15-19(2)23-20(3)17-28(7,32)22(5)33-23/h9-17,21-23,25,32H,1-8H3/b10-9+,13-11+,14-12+,18-16+,19-15+/t21-,22+,23+,25-,27+,28+,29-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft...				Bioorg Med Chem Lett 26: 5328-5333 (2016) Article DOI: 10.1016/j.bmcl.2016.09.032 BindingDB Entry DOI: 10.7270/Q2BV7JK7
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM576331 (WO2022112188, Example 13) Show SMILES Clc1ccc2sc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)C2CC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112188	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q24M97T4
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576317 (WO2022112140, Example 23) Show SMILES CS(=O)(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112140	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00HZ
					More data for this Ligand-Target Pair
Fumarate reductase (Ascaris suum)	BDBM50198749 (Poquil | Povan | Pyrvinium Embonate | Pyrvinium Pa...) Show SMILES CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1.CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1.Oc1c(cc2ccccc2c1Cc1c(O)c(cc2ccccc12)C([O-])=O)C([O-])=O Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)/p-2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft...				Bioorg Med Chem Lett 26: 5328-5333 (2016) Article DOI: 10.1016/j.bmcl.2016.09.032 BindingDB Entry DOI: 10.7270/Q2BV7JK7
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM576269 (WO2022112139, Example 7) Show SMILES O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)C1CCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112139	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221WV
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM576317 (WO2022112140, Example 23) Show SMILES CS(=O)(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112140	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00HZ
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576361 (WO2022112205, Example 16) Show SMILES CS(=O)(=O)Cc1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112205	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H2C
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM576267 (WO2022112139, Example 5) Show SMILES COCCC(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112139	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221WV
					More data for this Ligand-Target Pair

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