Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1464   

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
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324403 (US10189835, Compound 434) Show SMILES CON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C16H18ClN5O3/c1-21(25-2)15(23)14-12-9-22(7-6-13(12)19-20-14)16(24)18-11-5-3-4-10(17)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,18,24)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324427 (US10189835, Compound 937) Show SMILES CN(C)N(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C17H21ClN6O2/c1-22(2)23(3)16(25)15-13-10-24(8-7-14(13)20-21-15)17(26)19-12-6-4-5-11(18)9-12/h4-6,9H,7-8,10H2,1-3H3,(H,19,26)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324406 (US10189835, Compound 587) Show SMILES CN(O)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C15H16ClN5O3/c1-20(24)14(22)13-11-8-21(6-5-12(11)18-19-13)15(23)17-10-4-2-3-9(16)7-10/h2-4,7,24H,5-6,8H2,1H3,(H,17,23)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324408 (US10189835, Compound 599) Show SMILES CCON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C17H20ClN5O3/c1-3-26-22(2)16(24)15-13-10-23(8-7-14(13)20-21-15)17(25)19-12-6-4-5-11(18)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,19,25)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324409 (US10189835, Compound 795) Show SMILES CCCON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C18H22ClN5O3/c1-3-9-27-23(2)17(25)16-14-11-24(8-7-15(14)21-22-16)18(26)20-13-6-4-5-12(19)10-13/h4-6,10H,3,7-9,11H2,1-2H3,(H,20,26)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324410 (US10189835, Compound 796) Show SMILES CN(OCCO)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C17H20ClN5O4/c1-22(27-8-7-24)16(25)15-13-10-23(6-5-14(13)20-21-15)17(26)19-12-4-2-3-11(18)9-12/h2-4,9,24H,5-8,10H2,1H3,(H,19,26)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324411 (US10189835, Compound 798) Show SMILES CC(C)CON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C19H24ClN5O3/c1-12(2)11-28-24(3)18(26)17-15-10-25(8-7-16(15)22-23-17)19(27)21-14-6-4-5-13(20)9-14/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,21,27)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324412 (US10189835, Compound 800) Show SMILES COCCON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C18H22ClN5O4/c1-23(28-9-8-27-2)17(25)16-14-11-24(7-6-15(14)21-22-16)18(26)20-13-5-3-4-12(19)10-13/h3-5,10H,6-9,11H2,1-2H3,(H,20,26)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324413 (US10189835, Compound 803) Show SMILES CN(OCC1CC1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClN5O3/c1-24(28-11-12-5-6-12)18(26)17-15-10-25(8-7-16(15)22-23-17)19(27)21-14-4-2-3-13(20)9-14/h2-4,9,12H,5-8,10-11H2,1H3,(H,21,27)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324415 (US10189835, Compound 805) Show SMILES CN(OC1CCC1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClN5O3/c1-24(28-14-6-3-7-14)18(26)17-15-11-25(9-8-16(15)22-23-17)19(27)21-13-5-2-4-12(20)10-13/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,21,27)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324416 (US10189835, Compound 594) Show SMILES CCN(OC)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C17H20ClN5O3/c1-3-23(26-2)16(24)15-13-10-22(8-7-14(13)20-21-15)17(25)19-12-6-4-5-11(18)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,19,25)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324417 (US10189835, Compound 595) Show SMILES CON(C(C)C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C18H22ClN5O3/c1-11(2)24(27-3)17(25)16-14-10-23(8-7-15(14)21-22-16)18(26)20-13-6-4-5-12(19)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,20,26)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324418 (US10189835, Compound 600) Show SMILES CC(C)ON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C18H22ClN5O3/c1-11(2)27-23(3)17(25)16-14-10-24(8-7-15(14)21-22-16)18(26)20-13-6-4-5-12(19)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,20,26)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324419 (US10189835, Compound 695) Show SMILES CCC(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C16H17ClN4O2/c1-2-14(22)15-12-9-21(7-6-13(12)19-20-15)16(23)18-11-5-3-4-10(17)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,18,23)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324421 (US10189835, Compound 697) Show SMILES OC1CON(C1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324422 (US10189835, Compound 698) Show SMILES FC1CON(C1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324423 (US10189835, Compound 699) Show SMILES Clc1cccc(NC(=O)N2CCc3[nH]nc(C(=O)N4CCCO4)c3C2)c1 Show InChI InChI=1S/C17H18ClN5O3/c18-11-3-1-4-12(9-11)19-17(25)22-7-5-14-13(10-22)15(21-20-14)16(24)23-6-2-8-26-23/h1,3-4,9H,2,5-8,10H2,(H,19,25)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324424 (US10189835, Compound 828) Show SMILES CON(C)C(=O)c1n[nH]c2CC(C)N(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324424 (US10189835, Compound 828) Show SMILES CON(C)C(=O)c1n[nH]c2CC(C)N(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324425 (US10189835, Compound 910) Show SMILES CN(OC1CCOC1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324426 (US10189835, Compound 912) Show SMILES CN(OC1CN(C)C1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN6O3/c1-24-9-14(10-24)29-25(2)18(27)17-15-11-26(7-6-16(15)22-23-17)19(28)21-13-5-3-4-12(20)8-13/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,21,28)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair
Capsid protein (Hepatitis B virus genotype C subtype ayr (isolate ...)	BDBM324405 (US10189835, Compound 561) Show SMILES CCCC(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C17H19ClN4O2/c1-2-4-15(23)16-13-10-22(8-7-14(13)20-21-16)17(24)19-12-6-3-5-11(18)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,19,24)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
NOVIRA THERAPEUTICS, INC. US Patent					Assay Description HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...				US Patent US10189835 (2019) BindingDB Entry DOI: 10.7270/Q2KP8482
					More data for this Ligand-Target Pair