Compile Data Set for Download or QSAR

Found 274 hits with Last Name = 'ying' and Initial = 'y'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50342601 (CHEMBL1255901 | Huperzine A) Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as inhibition of acetylcholine hydrolysis after 30 mins by Ellmann's method				J Nat Prod 77: 2054-9 (2014) Article DOI: 10.1021/np500412f BindingDB Entry DOI: 10.7270/Q2BC4147
					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
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
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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50027327 (CHEMBL3338389) Show SMILES [H][C@@]12[C@@H](O)C(C)(C)CC1=C1COC(N[C@@]34CC(C)=C[C@@]([H])(Cc5[nH]c(=O)ccc35)\C4=C/C)C1(O)CC[C@@H]2C |r,c:18,t:9,TLB:30:29:21.22.28:18.16.15| Show InChI InChI=1S/C30H40N2O4/c1-6-20-18-11-16(2)13-29(20,21-7-8-24(33)31-23(21)12-18)32-27-30(35)10-9-17(3)25-19(22(30)15-36-27)14-28(4,5)26(25)34/h6-8,11,17-18,25-27,32,34-35H,9-10,12-15H2,1-5H3,(H,31,33)/b20-6+/t17-,18-,25-,26+,27?,29+,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as inhibition of acetylcholine hydrolysis after 30 mins by Ellmann's method				J Nat Prod 77: 2054-9 (2014) Article DOI: 10.1021/np500412f BindingDB Entry DOI: 10.7270/Q2BC4147
					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
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
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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50027339 (CHEMBL3338388) Show SMILES [H][C@@]12CC(C)(C)CC1=C1COC(N[C@@]34CC(C)=C[C@@]([H])(Cc5[nH]c(=O)ccc35)\C4=C/C)C1(O)C[C@@H](O)[C@@H]2C |r,c:17,t:8,TLB:29:28:20.21.27:17.15.14| Show InChI InChI=1S/C30H40N2O4/c1-6-21-18-9-16(2)11-29(21,22-7-8-26(34)31-24(22)10-18)32-27-30(35)14-25(33)17(3)19-12-28(4,5)13-20(19)23(30)15-36-27/h6-9,17-19,25,27,32-33,35H,10-15H2,1-5H3,(H,31,34)/b21-6+/t17-,18+,19+,25-,27?,29-,30?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as inhibition of acetylcholine hydrolysis after 30 mins by Ellmann's method				J Nat Prod 77: 2054-9 (2014) Article DOI: 10.1021/np500412f BindingDB Entry DOI: 10.7270/Q2BC4147
					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
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
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
External core antigen (HBVgbn)	BDBM576354 (WO2022112205, Example 11) Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=N)(=O)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112205	n/a	n/a	594	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)	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	660	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)	BDBM576349 (WO2022112205, Example 5) Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)(=O)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112205	n/a	n/a	688	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
External core antigen (HBVgbn)	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	690	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
External core antigen (HBVgbn)	BDBM576386 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES CS(=O)(=O)c1ccc(o1)C(=O)NC1C[C@@]2(C1)C[C@@H](C2)c1nc2cc(Cl)ccc2o1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	694	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)	BDBM576349 (WO2022112205, Example 5) Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)(=O)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112205	n/a	n/a	750	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
External core antigen (HBVgbn)	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	770	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)	BDBM576354 (WO2022112205, Example 11) Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=N)(=O)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112205	n/a	n/a	823	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
External core antigen (HBVgbn)	BDBM576341 (WO2022112188, Example 23) Show SMILES FC1(F)CC(C1)NS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112188	n/a	n/a	850	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)	BDBM576383 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES CS(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	854	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)	BDBM576355 (WO2022112205, Example 12) Show SMILES CS(=N)(=O)c1ccc(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	891	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)	BDBM576386 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES CS(=O)(=O)c1ccc(o1)C(=O)NC1C[C@@]2(C1)C[C@@H](C2)c1nc2cc(Cl)ccc2o1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	896	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)	BDBM576288 (WO2022112139, Example 26) Show SMILES O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1ncco1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112139	n/a	n/a	910	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)	BDBM576358 (WO2022112205, Example 13) Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=N)(=O)CC1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112205	n/a	n/a	950	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)	BDBM576284 (WO2022112139, Example 22) Show SMILES Clc1cccc(n1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112139	n/a	n/a	960	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50027368 (CHEMBL3338386) Show SMILES [H][C@@]12CC(C)(C)CC1=C1C(=O)O[C@]([H])(N[C@@]34CC(C)=C[C@@]([H])(Cc5[nH]c(=O)ccc35)\C4=C/C)[C@@]1(C[C@H](O)[C@@H]2C)OC |r,c:19,t:8,TLB:31:30:22.23.29:19.17.16| Show InChI InChI=1S/C31H40N2O5/c1-7-21-18-10-16(2)12-30(21,22-8-9-25(35)32-23(22)11-18)33-28-31(37-6)15-24(34)17(3)19-13-29(4,5)14-20(19)26(31)27(36)38-28/h7-10,17-19,24,28,33-34H,11-15H2,1-6H3,(H,32,35)/b21-7+/t17-,18+,19+,24+,28+,30-,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as inhibition of acetylcholine hydrolysis after 30 mins by Ellmann's method				J Nat Prod 77: 2054-9 (2014) Article DOI: 10.1021/np500412f BindingDB Entry DOI: 10.7270/Q2BC4147
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576358 (WO2022112205, Example 13) Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=N)(=O)CC1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112205	n/a	n/a	995	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
External core antigen (HBVgbn)	BDBM576340 (WO2022112188, Example 22) Show SMILES Clc1ccc2sc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)NC2CCC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112188	n/a	n/a	1.00E+3	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)	BDBM576357 (WO2022112205, Example 12-b) Show SMILES C[S@](=N)(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112205	n/a	n/a	1.01E+3	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
External core antigen (HBVgbn)	BDBM576378 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES COCc1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	1.02E+3	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)	BDBM576387 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES CCS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	1.03E+3	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)	BDBM576342 (WO2022112188, Example 24) Show SMILES FC(F)(F)C1CC(C1)NS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112188	n/a	n/a	1.04E+3	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)	BDBM576287 (WO2022112139, Example 25) Show SMILES O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1cccnn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112139	n/a	n/a	1.09E+3	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)	BDBM576268 (WO2022112139, Example 6) Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112139	n/a	n/a	1.13E+3	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
External core antigen (HBVgbn)	BDBM576339 (WO2022112188, Example 21) Show SMILES FC1(F)CN(C1)S(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112188	n/a	n/a	1.14E+3	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)	BDBM576384 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES CS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	1.17E+3	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)	BDBM576263 (WO2022112139, Example 1) Show SMILES CCC(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112139	n/a	n/a	1.19E+3	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
External core antigen (HBVgbn)	BDBM576345 (WO2022112205, Example 2-a) Show SMILES C[S@](=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112205	n/a	n/a	1.19E+3	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)	BDBM576286 (WO2022112139, Example 24) Show SMILES O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1ccnnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112139	n/a	n/a	1.20E+3	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
External core antigen (HBVgbn)	BDBM576327 (WO2022112188, Example 9) Show SMILES CCS(=O)(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112188	n/a	n/a	1.21E+3	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

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