Compile Data Set for Download or QSAR

Found 461 hits with Last Name = 'andrea' and Initial = 's'   

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
Mu-type opioid receptor (MOUSE)	BDBM50007002 (3,4-Dichloro-N-(3-dimethylamino-1,2,3,4-tetrahydro...) Show SMILES CN(C)[C@@H]1Cc2ccccc2C[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O/c1-23(2)18-11-13-6-4-5-7-14(13)12-19(18)24(3)20(25)15-8-9-16(21)17(22)10-15/h4-10,18-19H,11-12H2,1-3H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50229403 (CHEMBL2311130) Show SMILES CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Compound was evaluated for time-dependent inactivation of Ribonucleotide diphosphate reductase (RDPR) in E. coli				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50006996 (3,4-Dichloro-N-methyl-N-(3-pyrrolidin-1-yl-1,2,3,4...) Show SMILES CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H24Cl2N2O/c1-25(22(27)17-8-9-18(23)19(24)12-17)20-13-15-6-2-3-7-16(15)14-21(20)26-10-4-5-11-26/h2-3,6-9,12,20-21H,4-5,10-11,13-14H2,1H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	374	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50007004 (3,4-Dichloro-N-(2-dimethylamino-1,2,3,4-tetrahydro...) Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O/c1-23(2)18-11-9-13-6-4-5-7-15(13)19(18)24(3)20(25)14-8-10-16(21)17(22)12-14/h4-8,10,12,18-19H,9,11H2,1-3H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50006997 (3,4-Dichloro-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4...) Show SMILES CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H24Cl2N2O/c1-25(22(27)16-8-10-18(23)19(24)14-16)21-17-7-3-2-6-15(17)9-11-20(21)26-12-4-5-13-26/h2-3,6-8,10,14,20-21H,4-5,9,11-13H2,1H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50006994 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-pyrrolidin-1...) Show SMILES Cl.CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H26Cl2N2O.ClH/c1-26(23(28)13-16-8-9-19(24)20(25)12-16)21-14-17-6-2-3-7-18(17)15-22(21)27-10-4-5-11-27;/h2-3,6-9,12,21-22H,4-5,10-11,13-15H2,1H3;1H/t21-,22-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50006999 (2-(3,4-Dichloro-phenyl)-N-(2-dimethylamino-1,2,3,4...) Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N2O/c1-24(2)19-11-9-15-6-4-5-7-16(15)21(19)25(3)20(26)13-14-8-10-17(22)18(23)12-14/h4-8,10,12,19,21H,9,11,13H2,1-3H3/t19-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-etorphine as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50007001 (3,4-Dichloro-N-methyl-N-(3-pyrrolidin-1-yl-1,2,3,4...) Show SMILES CN([C@@H]1Cc2cc3ccccc3cc2C[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H26Cl2N2O/c1-29(26(31)19-8-9-22(27)23(28)14-19)24-15-20-12-17-6-2-3-7-18(17)13-21(20)16-25(24)30-10-4-5-11-30/h2-3,6-9,12-14,24-25H,4-5,10-11,15-16H2,1H3/t24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50006998 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-pyrrolidin-1...) Show SMILES CN([C@@H]1Cc2cc3ccccc3cc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H28Cl2N2O/c1-30(27(32)13-18-8-9-23(28)24(29)12-18)25-16-21-14-19-6-2-3-7-20(19)15-22(21)17-26(25)31-10-4-5-11-31/h2-3,6-9,12,14-15,25-26H,4-5,10-11,13,16-17H2,1H3/t25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50007000 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...) Show SMILES CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534094 (WO2022081807, Example 201) Show SMILES COc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1)N1CCCC1c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50287622 (CHEMBL4160876) Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C34H44ClF2N5O9S/c1-32(2,3)25(39-31(46)51-33(4,5)6)29(44)42-16-18(50-28-21-12-17(35)8-11-20(21)24(49-7)15-38-28)13-23(42)27(43)40-34(14-22(34)26(36)37)30(45)41-52(47,48)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t18-,22+,23+,25-,34-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...				ACS Med Chem Lett 9: 143-148 (2018) Article DOI: 10.1021/acsmedchemlett.7b00503 BindingDB Entry DOI: 10.7270/Q2668GR7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50287594 (Asunaprevir | BMS 650032 | BMS-650032) Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...				ACS Med Chem Lett 9: 143-148 (2018) Article DOI: 10.1021/acsmedchemlett.7b00503 BindingDB Entry DOI: 10.7270/Q2668GR7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM533971 (WO2022081807, Example 78) Show SMILES CCOc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM533872 (WO2022081807, Example 5) Show SMILES Fc1cc(cc2oc(cc12)C(=O)NS(=O)(=O)c1c(OCc2ccccc2)cccc1OC1CCC1)N1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	1.42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534119 (WO2022081807, Example 226) Show SMILES CC(C)(C)c1ccc(OCC2CC2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	1.79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534154 (6-Cyclopropyl-N-(2-ethoxy-5-sec-butyl-phenyl)sulfo...) Show SMILES CCOc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1)C(C)CC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	1.84	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534100 (WO2022081807, Example 207) Show SMILES CCOc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1)C(C)CC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	1.86	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534192 (N-[(2-Cyclobutoxy-5-isopropylphenyl)sulfonyl]-6-cy...) Show SMILES CC(C)c1ccc(OC2CCC2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	2.09	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534190 (N-((5-(tert-Butyl)-2-cyclobutoxyphenyl)sulfonyl)-6...) Show SMILES CC(C)(C)c1ccc(OC2CCC2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	2.46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534121 (WO2022081807, Example 228) Show SMILES CC(C)(C)c1ccc(OC2CCC2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	2.57	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534187 (N-[(2-(Benzyloxy)-5-(tert-butyl)phenyl)sulfonyl]-6...) Show SMILES CC(C)(C)c1ccc(OCc2ccccc2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	2.67	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534188 (N-((5-(tert-butyl)-2-(cyclopropylmethoxy)phenyl)su...) Show SMILES CC(C)(C)c1ccc(OCC2CC2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	2.92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534161 (6-Cyclopropyl-N-[2-(cyclopropylmethoxy)-5-isopropy...) Show SMILES CC(C)c1ccc(OCC2CC2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	3.01	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534193 (N-((5-(tert-butyl)-2-methoxyphenyl)sulfonyl)-6-cyc...) Show SMILES COc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	3.31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534186 (N-((5-(tert-butyl)-2-cyclopropoxyphenyl)sulfonyl)-...) Show SMILES CC(C)(C)c1ccc(OC2CC2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	3.58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534117 (WO2022081807, Example 224) Show SMILES CC(C)(C)c1ccc(OC2CC2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	3.72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534118 (6-(Azetidin-1-yl)-N-[(2-(benzyloxy)-5-(tert-butyl)...) Show SMILES CC(C)(C)c1ccc(OCc2ccccc2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	3.72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534107 (6-(azetidin-1-yl)-N-[2-(cyclopropylmethoxy)-5-isop...) Show SMILES CC(C)c1ccc(OCC2CC2)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	3.91	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM533874 (WO2022081807, Example 7) Show SMILES CCOc1cccc(Oc2ccccc2)c1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	4.15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534189 (N-((5-(tert-butyl)-2-(2,2,2-trifluoroethoxy)phenyl...) Show SMILES CC(C)(C)c1ccc(OCC(F)(F)F)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	4.16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534087 (6-(Azetidin-1-yl)-N-[5-(3,5-dimethyl-1,2-oxazol-4-...) Show SMILES COc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1)-c1c(C)noc1C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	4.19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534124 (6-(Azetidin-1-yl)-N-((2-((2,2-difluorocyclopropyl)...) Show SMILES CC(C)c1ccc(OCC2CC2(F)F)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	4.22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534043 (WO2022081807, Example 150) Show SMILES COc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CC(F)C1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	4.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534191 (N-((5-(tert-Butyl)-2-isopropoxyphenyl)sulfonyl)-6-...) Show SMILES CC(C)Oc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	4.33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM533884 (6-(Azetidin-1-yl)-N-(2,6-dipropoxybenzene-1-sulfon...) Show SMILES CCCOc1cccc(OCCC)c1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	4.47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534006 (N-(5-tert-butyl-2-ethoxybenzene-1-sulfonyl)-4-fluo...) Show SMILES CCOc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CC(F)C1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	4.48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534194 (6-Cyclopropyl-N-{(2-[(2,2-difluorocyclopropyl)meth...) Show SMILES CC(C)c1ccc(OCC2CC2(F)F)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534020 (6-(Azetidin-1-yl)-N-(5-tert-butyl-2-methoxybenzene...) Show SMILES COc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	4.53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534174 (6-Cyclopropyl-4-(difluoromethoxy)-N-[(2-methyl-8-q...) Show SMILES Cc1ccc2cccc(c2n1)S(=O)(=O)NC(=O)c1cc2c(OC(F)F)cc(cc2o1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	4.78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534122 (6-(Azetidin-1-yl)-N-[(5-(tert-butyl)-2-isopropoxyp...) Show SMILES CC(C)Oc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	4.79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534195 (6-Cyclopropyl-N-(2-ethoxy-5-isopropyl-phenyl)sulfo...) Show SMILES CCOc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1)C(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	4.79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534168 (6-Cyclopropyl-4-fluoro-N-[5-isopropyl-2-(2,2,2-tri...) Show SMILES CC(C)c1ccc(OCC(F)(F)F)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	4.99	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50287595 (CHEMBL3921126) Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1ncc(OC)c2ccc(Cl)cc12)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C35H48ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h10,13-14,17,19,21-22,25,27H,9,11-12,15-16,18H2,1-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...				ACS Med Chem Lett 9: 143-148 (2018) Article DOI: 10.1021/acsmedchemlett.7b00503 BindingDB Entry DOI: 10.7270/Q2668GR7
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534088 (WO2022081807, Example 195) Show SMILES COc1ccc(cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1)-c1cn(C)nc1C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	5.07	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50006994 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-pyrrolidin-1...) Show SMILES Cl.CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H26Cl2N2O.ClH/c1-26(23(28)13-16-8-9-19(24)20(25)12-16)21-14-17-6-2-3-7-18(17)15-22(21)27-10-4-5-11-27;/h2-3,6-9,12,21-22H,4-5,10-11,13-15H2,1H3;1H/t21-,22-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534120 (6-(Azetidin-1-yl)-N-[(5-(tert-butyl)-2-(2,2,2-trif...) Show SMILES CC(C)(C)c1ccc(OCC(F)(F)F)c(c1)S(=O)(=O)NC(=O)c1cc2c(F)cc(cc2o1)N1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081807	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FR...				Citation and Details BindingDB Entry DOI: 10.7270/Q20868HP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 using [3H]U-69,593 as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM534177 (6-Cyclopropyl-N-[(2-methyl-8-quinolyl)sulfonyl]-4-...) Show SMILES Cc1ccc2cccc(c2n1)S(=O)(=O)NC(=O)c1cc2c(cc(cc2o1)C1CC1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022081842	n/a	n/a	5.55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-F...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VM4GFQ
					More data for this Ligand-Target Pair

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