Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 10896   

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
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576627 (US11472776, Example 16) Show SMILES CCc1ccc(cc1O)-n1c(nc2ccsc2c1=O)-c1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576467 (US11472776, Example 1) Show SMILES CCc1ccc(cc1O)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576631 (US11472776, Example 20) Show SMILES Cc1ccc(cc1O)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576618 (US11472776, Example 4) Show SMILES O=c1n(-c2cccc(OCc3ccccc3)c2)c(nc2ccccc12)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576626 (US11472776, Example 15) Show SMILES O=c1[nH]c(nc2ccsc12)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576467 (US11472776, Example 1) Show SMILES CCc1ccc(cc1O)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576631 (US11472776, Example 20) Show SMILES Cc1ccc(cc1O)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576629 (US11472776, Example 18) Show SMILES CCc1ccc(cc1Br)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576627 (US11472776, Example 16) Show SMILES CCc1ccc(cc1O)-n1c(nc2ccsc2c1=O)-c1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576632 (US11472776, Example 21) Show SMILES Oc1cccc(c1)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576632 (US11472776, Example 21) Show SMILES Oc1cccc(c1)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576616 (US11472776, Example 2) Show SMILES Oc1cc(ccc1Cl)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576625 (US11472776, Example 14) Show SMILES COc1ccc(cn1)-n1c(nc2ccsc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576621 (US11472776, Example 9) Show SMILES CN1CC(C1)C(=O)Nc1ccc(cc1)-c1nc2ccsc2c(=O)[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576626 (US11472776, Example 15) Show SMILES O=c1[nH]c(nc2ccsc12)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576618 (US11472776, Example 4) Show SMILES O=c1n(-c2cccc(OCc3ccccc3)c2)c(nc2ccccc12)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576630 (US11472776, Example 19) Show SMILES CCc1ccc2cc(ccc2c1)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576617 (US11472776, Example 3) Show SMILES OCCCCn1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576620 (US11472776, Example 7) Show SMILES CN1CC(C1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2c(=O)n1-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576617 (US11472776, Example 3) Show SMILES OCCCCn1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576620 (US11472776, Example 7) Show SMILES CN1CC(C1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2c(=O)n1-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576624 (US11472776, Example 13) Show SMILES COc1ccc(cn1)-n1c(nc2ccsc2c1=O)-c1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576623 (US11472776, Example 11) Show SMILES Cc1ccc(cc1O)-n1c(nc2ccsc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576625 (US11472776, Example 14) Show SMILES COc1ccc(cn1)-n1c(nc2ccsc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576628 (US11472776, Example 17) Show SMILES CCc1ccc(cc1F)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576622 (US11472776, Example 10) Show SMILES O=c1n(-c2cccnc2)c(nc2ccsc12)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576616 (US11472776, Example 2) Show SMILES Oc1cc(ccc1Cl)-n1c(nc2ccccc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576623 (US11472776, Example 11) Show SMILES Cc1ccc(cc1O)-n1c(nc2ccsc2c1=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50149938 (CHEMBL3770477 | US11472776, Example 6) Show SMILES O=c1[nH]c(nc2cnccc12)-c1cccnc1 Show InChI InChI=1S/C23H20ClN3O5S3/c24-18-10-9-17-13-22(33-20(17)14-18)35(31,32)27-12-11-26-23(28)16-7-5-15(6-8-16)19-3-1-2-4-21(19)34(25,29)30/h1-10,13-14,27H,11-12H2,(H,26,28)(H2,25,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	5.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau (Homo sapiens (Human))	BDBM576621 (US11472776, Example 9) Show SMILES CN1CC(C1)C(=O)Nc1ccc(cc1)-c1nc2ccsc2c(=O)[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1Q5K
					More data for this Ligand-Target Pair