Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 10889   

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
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
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
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
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
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)	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
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
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)	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
External core antigen (HBVgbn)	BDBM576376 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES CC(C)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	1.34E+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)	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	1.53E+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)	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	1.58E+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)	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	1.62E+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)	BDBM576389 (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)C2COC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	1.81E+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)	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	1.95E+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)	BDBM576393 (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:10.11,24.27,wD:12.13,14.18,(-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,;4.5,7.34,;5.59,6.25,;6.68,7.34,;7.77,6.25,;6.68,5.17,;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,;4.5,5.17,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	1.95E+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)	BDBM576375 (5-chloro-N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[...) Show SMILES Clc1ccc(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	2.08E+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)	BDBM576370 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES FC(F)(F)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	2.29E+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)	BDBM576393 (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:10.11,24.27,wD:12.13,14.18,(-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,;4.5,7.34,;5.59,6.25,;6.68,7.34,;7.77,6.25,;6.68,5.17,;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,;4.5,5.17,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	2.42E+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)	BDBM576394 (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:10.11,wD:12.13,14.18,24.27,(-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,;4.5,7.34,;5.59,6.25,;6.68,7.34,;7.77,6.25,;6.68,5.17,;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,;4.5,5.17,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	2.50E+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)	BDBM576375 (5-chloro-N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[...) Show SMILES Clc1ccc(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	2.77E+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)	BDBM576394 (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:10.11,wD:12.13,14.18,24.27,(-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,;4.5,7.34,;5.59,6.25,;6.68,7.34,;7.77,6.25,;6.68,5.17,;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,;4.5,5.17,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	2.86E+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)	BDBM576373 (4-bromo-N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2cc(Br)co2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	2.94E+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)	BDBM576379 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES OC(C1CC1)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	2.94E+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)	BDBM576389 (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)C2COC2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	3.27E+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)	BDBM576379 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES OC(C1CC1)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	3.35E+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)	BDBM576376 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES CC(C)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	3.57E+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)	BDBM576370 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES FC(F)(F)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	3.63E+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)	BDBM576385 (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	3.94E+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)	BDBM576381 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES FC(F)(F)c1cc([nH]n1)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	3.96E+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)	BDBM576371 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)C#N)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	4.06E+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)	BDBM576385 (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	5.19E+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 c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576380 (N2-[6-(5-Chloro-1,3-benzoxazol-2-yl)spiro[3.3]hept...) Show SMILES NC(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	5.22E+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)	BDBM576373 (4-bromo-N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2cc(Br)co2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	5.57E+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)	BDBM576377 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES COc1ccc(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	5.84E+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)	BDBM576371 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)C#N)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	5.86E+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)	BDBM576380 (N2-[6-(5-Chloro-1,3-benzoxazol-2-yl)spiro[3.3]hept...) Show SMILES NC(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	5.88E+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)	BDBM576382 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Cn1cc(cn1)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	6.20E+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 c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair
External core antigen (HBVgbn)	BDBM576374 (3-bromo-N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2occc2Br)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	6.29E+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)	BDBM576381 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES FC(F)(F)c1cc([nH]n1)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	6.86E+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)	BDBM576372 (5-bromo-N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(Br)o2)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	7.64E+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)	BDBM576377 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES COc1ccc(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	7.97E+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)	BDBM576374 (3-bromo-N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3...) Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2occc2Br)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	8.19E+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 c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair

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