Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with all data for entry = 10063   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511554 (US11059794, Example 6.14 | tert-butyl 4-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511578 (US11059794, Example 6.38 | tert-butyl 4-[2-(5- sul...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)(=O)c3ccc(s3)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511581 (US11059794, Example 6.41 | tert-butyl 4-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(OC(F)F)ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ccc(cc2F)S(N)(=O)=O)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511579 (US11059794, Example 6.39 | tert-butyl 4-(3-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)Sc2ncc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511541 (US11059794, Example 6.03 | tert-butyl 4-[2-(2,3-di...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)(=O)c3ccc(c(F)c3F)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511538 (US11059794, Example 6.00) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)Sc2ccc(c(F)c2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511530 (4-(piperidin-4- ylmethyl)benzenesulfonamide hydroc...) Show SMILES NS(=O)(=O)c1ccc(CC2CCN(CC2)C(=O)c2cc(OCC3CCOCC3)nc(c2)C2CC2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511551 (US11059794, Example 6.13 | tert-butyl 4-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511524 (US11059794, Example 4.00) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(CC2)C(=O)c2c(F)cc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511558 (US11059794, Example 6.18 | tert-butyl 4-[2-(2-fluo...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCC1CCN(CC1)C(=O)c1cnc(OCC(F)(F)F)c(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511567 (US11059794, Example 6.27 | tert-butyl 4-(2,3-diflu...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1F)S(=O)(=O)C1CCN(CC1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511585 (US11059794, Example 6.45 | tert-butyl 4-[2-[(5-sul...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)(=O)c3ncc(s3)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511520 (US11059794, Example 2.00 | US11059794, Example 2.0...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(Cc3ccc(c(F)c3)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511550 (US11059794, Example 6.12 | tert-butyl 3-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CC(C2)S(=O)(=O)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511540 (US11059794, Example 6.02 | tert-butyl 4-(2,3-diflu...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ccc(c(F)c2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511559 (US11059794, Example 6.19 | tert-butyl 4-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511520 (US11059794, Example 2.00 | US11059794, Example 2.0...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(Cc3ccc(c(F)c3)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511523 (US11059794, Example 3.00) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(CC2)C(=O)c2ccc(c(F)c2)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511548 (US11059794, Example 6.10 | tert-butyl 3-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CC(C2)Sc2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511557 (US11059794, Example 6.17 | tert-butyl 4-[2-(2-fluo...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)(=O)c3ccc(cc3F)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511525 (2-fluoro-4-sulfamoylbenzoic acid (CAS-RN 714968-42...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(CC2)C(=O)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511570 (US11059794, Example 6.30 | tert-butyl 4-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ccc(cc2F)S(N)(=O)=O)C#N)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511581 (US11059794, Example 6.41 | tert-butyl 4-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(OC(F)F)ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ccc(cc2F)S(N)(=O)=O)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511563 (US11059794, Example 6.23 | tert-butyl 4-(2-fluoro-...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)C1CCN(CC1)C(=O)c1cnc(OC2CCC2)c(c1)C1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511528 (3-fluoro-4-piperidin-4- ylsulfanylbenzenesulfonami...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)Sc2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511573 (US11059794, Example 6.33 | tert-butyl 4-[2-(2-fluo...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCC1CCN(CC1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511572 (US11059794, Example 6.32 | tert-butyl 4-[2-(2-fluo...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)CCC1CCN(CC1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511582 (US11059794, Example 6.42 | tert-butyl 4-[2-(2,3-di...) Show SMILES Cc1nnn(Cc2cc(OC(F)F)ccc2CCC(=O)N2CCC(CCS(=O)c3ccc(c(F)c3F)S(N)(=O)=O)CC2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511545 (US11059794, Example 6.07 | tert-butyl 4-[(2-fluoro...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CSc3ccc(cc3F)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511544 (US11059794, Example 6.06 | tert-butyl 4-[2-[(5-sul...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)c3ncc(s3)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511539 (US11059794, Example 6.01 | tert-butyl 4-(2,3-diflu...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)c2ccc(c(F)c2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511568 (US11059794, Example 6.28 | tert-butyl 4-(2-fluoro-...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)C1CCN(CC1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511563 (US11059794, Example 6.23 | tert-butyl 4-(2-fluoro-...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)C1CCN(CC1)C(=O)c1cnc(OC2CCC2)c(c1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511556 (US11059794, Example 6.16 | tert-butyl 4-[2-(2-fluo...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)c3ccc(cc3F)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511528 (3-fluoro-4-piperidin-4- ylsulfanylbenzenesulfonami...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)Sc2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511572 (US11059794, Example 6.32 | tert-butyl 4-[2-(2-fluo...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)CCC1CCN(CC1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511540 (US11059794, Example 6.02 | tert-butyl 4-(2,3-diflu...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ccc(c(F)c2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511531 (4-(piperidin-4- ylmethyl)benzenesulfonamide hydroc...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(Cc3ccc(cc3)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511528 (3-fluoro-4-piperidin-4- ylsulfanylbenzenesulfonami...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)Sc2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511529 (3-fluoro-4-piperazin-1- ylbenzenesulfonamide (CAS-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(CC2)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511554 (US11059794, Example 6.14 | tert-butyl 4-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511542 (US11059794, Example 6.04 | tert-butyl 4-[(5-sulfam...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)Sc2ncc(s2)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511585 (US11059794, Example 6.45 | tert-butyl 4-[2-[(5-sul...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)(=O)c3ncc(s3)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511583 (US11059794, Example 6.43 | tert-butyl 4-[2-(2,3-di...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)c3ccc(c(F)c3F)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511543 (US11059794, Example 6.05 | tert-butyl 4-[(5-sulfam...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ncc(s2)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511577 (US11059794, Example 6.37 | tert-butyl 4-[(5-sulfam...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)Sc2ccc(s2)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511591 (US11059794, Example 8.02) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CC[C@@H](COc3ccc(cc3)S(N)(=O)=O)C2)C(F)(F)F)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511565 (US11059794, Example 6.25 | tert-butyl 3-(2-fluoro-...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)C1CN(C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511549 (US11059794, Example 6.11 | tert-butyl 3-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CC(C2)S(=O)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM511539 (US11059794, Example 6.01 | tert-butyl 4-(2,3-diflu...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)c2ccc(c(F)c2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair

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