Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'narlawar' and Initial = 'r'   

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
Translocator protein (Homo sapiens (Human))	BDBM50327238 (2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay				J Med Chem 58: 8743-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b01288 BindingDB Entry DOI: 10.7270/Q2Q24222
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50327238 (2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				J Med Chem 58: 8743-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b01288 BindingDB Entry DOI: 10.7270/Q2Q24222
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50131400 (CHEMBL3634876) Show SMILES CCN(CC)C(=O)Cn1c(cc2c(C)cc(C)cc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H28N2O2/c1-6-24(7-2)23(26)15-25-21(18-8-10-19(27-5)11-9-18)14-20-17(4)12-16(3)13-22(20)25/h8-14H,6-7,15H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				J Med Chem 58: 8743-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b01288 BindingDB Entry DOI: 10.7270/Q2Q24222
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50131380 (CHEMBL3634878) Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)18(26)13-25-20(16-8-10-17(27-5)11-9-16)23-19-14(3)12-15(4)22-21(19)25/h8-12H,6-7,13H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay				J Med Chem 58: 8743-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b01288 BindingDB Entry DOI: 10.7270/Q2Q24222
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells at high affinity site by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50131380 (CHEMBL3634878) Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)18(26)13-25-20(16-8-10-17(27-5)11-9-16)23-19-14(3)12-15(4)22-21(19)25/h8-12H,6-7,13H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				J Med Chem 58: 8743-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b01288 BindingDB Entry DOI: 10.7270/Q2Q24222
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315861 (CHEMBL1090683 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H37Cl2N7O6S/c36-23-9-4-19(14-24(23)37)29(46)27-22-10-12-43(15-26(22)51-32(27)38)11-2-1-3-13-49-21-7-5-20(6-8-21)42-33-28-34(40-17-39-33)44(18-41-28)35-31(48)30(47)25(16-45)50-35/h4-9,14,17-18,25,30-31,35,45,47-48H,1-3,10-13,15-16,38H2,(H,39,40,42)/t25-,30-,31-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50131399 (CHEMBL3634877) Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)cc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C22H27N3O2/c1-6-24(7-2)20(26)14-25-19-13-15(3)12-16(4)21(19)23-22(25)17-8-10-18(27-5)11-9-17/h8-13H,6-7,14H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay				J Med Chem 58: 8743-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b01288 BindingDB Entry DOI: 10.7270/Q2Q24222
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315859 (CHEMBL1090681 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C33H33Cl2N7O6S/c34-21-7-2-17(12-22(21)35)27(44)25-20-8-10-41(13-24(20)49-30(25)36)9-1-11-47-19-5-3-18(4-6-19)40-31-26-32(38-15-37-31)42(16-39-26)33-29(46)28(45)23(14-43)48-33/h2-7,12,15-16,23,28-29,33,43,45-46H,1,8-11,13-14,36H2,(H,37,38,40)/t23-,28-,29-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315862 (CHEMBL1090684 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H39Cl2N7O6S/c37-24-10-5-20(15-25(24)38)30(47)28-23-11-13-44(16-27(23)52-33(28)39)12-3-1-2-4-14-50-22-8-6-21(7-9-22)43-34-29-35(41-18-40-34)45(19-42-29)36-32(49)31(48)26(17-46)51-36/h5-10,15,18-19,26,31-32,36,46,48-49H,1-4,11-14,16-17,39H2,(H,40,41,43)/t26-,31-,32-,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315860 (CHEMBL1090682 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C34H35Cl2N7O6S/c35-22-8-3-18(13-23(22)36)28(45)26-21-9-11-42(14-25(21)50-31(26)37)10-1-2-12-48-20-6-4-19(5-7-20)41-32-27-33(39-16-38-32)43(17-40-27)34-30(47)29(46)24(15-44)49-34/h3-8,13,16-17,24,29-30,34,44,46-47H,1-2,9-12,14-15,37H2,(H,38,39,41)/t24-,29-,30-,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315853 (6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahy...) Show SMILES Nc1sc2CN(CCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H41Cl2N7O6S/c38-25-11-6-21(16-26(25)39)31(48)29-24-12-14-45(17-28(24)53-34(29)40)13-4-2-1-3-5-15-51-23-9-7-22(8-10-23)44-35-30-36(42-19-41-35)46(20-43-30)37-33(50)32(49)27(18-47)52-37/h6-11,16,19-20,27,32-33,37,47,49-50H,1-5,12-15,17-18,40H2,(H,41,42,44)/t27-,32-,33-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50131399 (CHEMBL3634877) Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)cc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C22H27N3O2/c1-6-24(7-2)20(26)14-25-19-13-15(3)12-16(4)21(19)23-22(25)17-8-10-18(27-5)11-9-17/h8-13H,6-7,14H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				J Med Chem 58: 8743-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b01288 BindingDB Entry DOI: 10.7270/Q2Q24222
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315859 (CHEMBL1090681 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C33H33Cl2N7O6S/c34-21-7-2-17(12-22(21)35)27(44)25-20-8-10-41(13-24(20)49-30(25)36)9-1-11-47-19-5-3-18(4-6-19)40-31-26-32(38-15-37-31)42(16-39-26)33-29(46)28(45)23(14-43)48-33/h2-7,12,15-16,23,28-29,33,43,45-46H,1,8-11,13-14,36H2,(H,37,38,40)/t23-,28-,29-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315862 (CHEMBL1090684 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H39Cl2N7O6S/c37-24-10-5-20(15-25(24)38)30(47)28-23-11-13-44(16-27(23)52-33(28)39)12-3-1-2-4-14-50-22-8-6-21(7-9-22)43-34-29-35(41-18-40-34)45(19-42-29)36-32(49)31(48)26(17-46)51-36/h5-10,15,18-19,26,31-32,36,46,48-49H,1-4,11-14,16-17,39H2,(H,40,41,43)/t26-,31-,32-,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	419	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315853 (6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahy...) Show SMILES Nc1sc2CN(CCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H41Cl2N7O6S/c38-25-11-6-21(16-26(25)39)31(48)29-24-12-14-45(17-28(24)53-34(29)40)13-4-2-1-3-5-15-51-23-9-7-22(8-10-23)44-35-30-36(42-19-41-35)46(20-43-30)37-33(50)32(49)27(18-47)52-37/h6-11,16,19-20,27,32-33,37,47,49-50H,1-5,12-15,17-18,40H2,(H,41,42,44)/t27-,32-,33-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315854 (CHEMBL1090686 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C38H43Cl2N7O6S/c39-26-12-7-22(17-27(26)40)32(49)30-25-13-15-46(18-29(25)54-35(30)41)14-5-3-1-2-4-6-16-52-24-10-8-23(9-11-24)45-36-31-37(43-20-42-36)47(21-44-31)38-34(51)33(50)28(19-48)53-38/h7-12,17,20-21,28,33-34,38,48,50-51H,1-6,13-16,18-19,41H2,(H,42,43,45)/t28-,33-,34-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315858 (CHEMBL1090680 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H31Cl2N7O6S/c33-20-6-1-16(11-21(20)34)26(43)24-19-7-8-40(12-23(19)48-29(24)35)9-10-46-18-4-2-17(3-5-18)39-30-25-31(37-14-36-30)41(15-38-25)32-28(45)27(44)22(13-42)47-32/h1-6,11,14-15,22,27-28,32,42,44-45H,7-10,12-13,35H2,(H,36,37,39)/t22-,27-,28-,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315860 (CHEMBL1090682 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C34H35Cl2N7O6S/c35-22-8-3-18(13-23(22)36)28(45)26-21-9-11-42(14-25(21)50-31(26)37)10-1-2-12-48-20-6-4-19(5-7-20)41-32-27-33(39-16-38-32)43(17-40-27)34-30(47)29(46)24(15-44)49-34/h3-8,13,16-17,24,29-30,34,44,46-47H,1-2,9-12,14-15,37H2,(H,38,39,41)/t24-,29-,30-,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	618	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315855 (CHEMBL1090687 | LUF-6258 | N6-[2-Amino-3-(3,4-dich...) Show SMILES Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	651	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315855 (CHEMBL1090687 | LUF-6258 | N6-[2-Amino-3-(3,4-dich...) Show SMILES Nc1sc2CN(CCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	661	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315858 (CHEMBL1090680 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H31Cl2N7O6S/c33-20-6-1-16(11-21(20)34)26(43)24-19-7-8-40(12-23(19)48-29(24)35)9-10-46-18-4-2-17(3-5-18)39-30-25-31(37-14-36-30)41(15-38-25)32-28(45)27(44)22(13-42)47-32/h1-6,11,14-15,22,27-28,32,42,44-45H,7-10,12-13,35H2,(H,36,37,39)/t22-,27-,28-,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315854 (CHEMBL1090686 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C38H43Cl2N7O6S/c39-26-12-7-22(17-27(26)40)32(49)30-25-13-15-46(18-29(25)54-35(30)41)14-5-3-1-2-4-6-16-52-24-10-8-23(9-11-24)45-36-31-37(43-20-42-36)47(21-44-31)38-34(51)33(50)28(19-48)53-38/h7-12,17,20-21,28,33-34,38,48,50-51H,1-6,13-16,18-19,41H2,(H,42,43,45)/t28-,33-,34-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50131400 (CHEMBL3634876) Show SMILES CCN(CC)C(=O)Cn1c(cc2c(C)cc(C)cc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H28N2O2/c1-6-24(7-2)23(26)15-25-21(18-8-10-19(27-5)11-9-18)14-20-17(4)12-16(3)13-22(20)25/h8-14H,6-7,15H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	806	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay				J Med Chem 58: 8743-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b01288 BindingDB Entry DOI: 10.7270/Q2Q24222
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315856 (CHEMBL1090688 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C40H47Cl2N7O6S/c41-28-14-9-24(19-29(28)42)34(51)32-27-15-17-48(20-31(27)56-37(32)43)16-7-5-3-1-2-4-6-8-18-54-26-12-10-25(11-13-26)47-38-33-39(45-22-44-38)49(23-46-33)40-36(53)35(52)30(21-50)55-40/h9-14,19,22-23,30,35-36,40,50,52-53H,1-8,15-18,20-21,43H2,(H,44,45,47)/t30-,35-,36-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315856 (CHEMBL1090688 | N6-[2-Amino-3-(3,4-dichlorobenzoyl...) Show SMILES Nc1sc2CN(CCCCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C40H47Cl2N7O6S/c41-28-14-9-24(19-29(28)42)34(51)32-27-15-17-48(20-31(27)56-37(32)43)16-7-5-3-1-2-4-6-8-18-54-26-12-10-25(11-13-26)47-38-33-39(45-22-44-38)49(23-46-33)40-36(53)35(52)30(21-50)55-40/h9-14,19,22-23,30,35-36,40,50,52-53H,1-8,15-18,20-21,43H2,(H,44,45,47)/t30-,35-,36-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator ...				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315857 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells at low affinity site by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50131379 (CHEMBL3634879) Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)nc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C20H25N5O2/c1-6-24(7-2)17(26)12-25-19(15-8-10-16(27-5)11-9-15)23-18-13(3)21-14(4)22-20(18)25/h8-11H,6-7,12H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				J Med Chem 58: 8743-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b01288 BindingDB Entry DOI: 10.7270/Q2Q24222
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50131379 (CHEMBL3634879) Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)nc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C20H25N5O2/c1-6-24(7-2)17(26)12-25-19(15-8-10-16(27-5)11-9-15)23-18-13(3)21-14(4)22-20(18)25/h8-11H,6-7,12H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay				J Med Chem 58: 8743-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b01288 BindingDB Entry DOI: 10.7270/Q2Q24222
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477339 (BMS-299897 | CHEMBL247471) Show SMILES C[C@@H](N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1CCCC(O)=O |r| Show InChI InChI=1S/C24H21ClF3NO4S/c1-15(21-11-7-18(26)13-16(21)3-2-4-24(30)31)29(23-14-19(27)8-12-22(23)28)34(32,33)20-9-5-17(25)6-10-20/h5-15H,2-4H2,1H3,(H,30,31)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta42 formation LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50256858 (CHEMBL474041 | Cyclopentyl-carbamic acid [1,1',3',...) Show SMILES O=C(NC1CCCC1)Oc1cc(cc(c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H23NO2/c26-24(25-22-13-7-8-14-22)27-23-16-20(18-9-3-1-4-10-18)15-21(17-23)19-11-5-2-6-12-19/h1-6,9-12,15-17,22H,7-8,13-14H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]Org43553 from human luteinizing hormone receptor expressed in CHOK1 cells				J Med Chem 52: 2036-42 (2009) Article DOI: 10.1021/jm801561h BindingDB Entry DOI: 10.7270/Q2G73DMJ
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477330 (CHEMBL218756) Show SMILES CCCCCCCCCCn1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O Show InChI InChI=1S/C25H32ClNO2/c1-3-4-5-6-7-8-9-10-15-27-23-14-12-20(26)17-22(23)21-13-11-19(16-24(21)27)18(2)25(28)29/h11-14,16-18H,3-10,15H2,1-2H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta42 formation LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477330 (CHEMBL218756) Show SMILES CCCCCCCCCCn1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O Show InChI InChI=1S/C25H32ClNO2/c1-3-4-5-6-7-8-9-10-15-27-23-14-12-20(26)17-22(23)21-13-11-19(16-24(21)27)18(2)25(28)29/h11-14,16-18H,3-10,15H2,1-2H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-42 formation LPECL assay				Bioorg Med Chem Lett 17: 5428-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.044 BindingDB Entry DOI: 10.7270/Q28P63B0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-38 formation by LPECL assay				Bioorg Med Chem Lett 17: 5428-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.044 BindingDB Entry DOI: 10.7270/Q28P63B0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477330 (CHEMBL218756) Show SMILES CCCCCCCCCCn1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O Show InChI InChI=1S/C25H32ClNO2/c1-3-4-5-6-7-8-9-10-15-27-23-14-12-20(26)17-22(23)21-13-11-19(16-24(21)27)18(2)25(28)29/h11-14,16-18H,3-10,15H2,1-2H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta-38 formation by LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477329 (CHEMBL392028) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C29H33NO5S/c1-17(2)20-13-24(18(3)4)29(25(14-20)19(5)6)36(33,34)30-26-10-8-7-9-22(26)23-12-11-21(15-27(23)30)35-16-28(31)32/h7-15,17-19H,16H2,1-6H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-42 formation LPECL assay				Bioorg Med Chem Lett 17: 5428-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.044 BindingDB Entry DOI: 10.7270/Q28P63B0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477329 (CHEMBL392028) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C29H33NO5S/c1-17(2)20-13-24(18(3)4)29(25(14-20)19(5)6)36(33,34)30-26-10-8-7-9-22(26)23-12-11-21(15-27(23)30)35-16-28(31)32/h7-15,17-19H,16H2,1-6H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta42 formation LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477329 (CHEMBL392028) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C29H33NO5S/c1-17(2)20-13-24(18(3)4)29(25(14-20)19(5)6)36(33,34)30-26-10-8-7-9-22(26)23-12-11-21(15-27(23)30)35-16-28(31)32/h7-15,17-19H,16H2,1-6H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta-38 formation by LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477327 (CHEMBL385554) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O Show InChI InChI=1S/C30H34ClNO4S/c1-16(2)21-12-24(17(3)4)29(25(13-21)18(5)6)37(35,36)32-27-11-9-22(31)15-26(27)23-10-8-20(14-28(23)32)19(7)30(33)34/h8-19H,1-7H3,(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta42 formation LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477327 (CHEMBL385554) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O Show InChI InChI=1S/C30H34ClNO4S/c1-16(2)21-12-24(17(3)4)29(25(13-21)18(5)6)37(35,36)32-27-11-9-22(31)15-26(27)23-10-8-20(14-28(23)32)19(7)30(33)34/h8-19H,1-7H3,(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-42 formation LPECL assay				Bioorg Med Chem Lett 17: 5428-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.044 BindingDB Entry DOI: 10.7270/Q28P63B0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477327 (CHEMBL385554) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O Show InChI InChI=1S/C30H34ClNO4S/c1-16(2)21-12-24(17(3)4)29(25(13-21)18(5)6)37(35,36)32-27-11-9-22(31)15-26(27)23-10-8-20(14-28(23)32)19(7)30(33)34/h8-19H,1-7H3,(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta-38 formation by LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477335 (CHEMBL247693) Show SMILES CCCCCCCCCCn1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C24H31NO3/c1-2-3-4-5-6-7-8-11-16-25-22-13-10-9-12-20(22)21-15-14-19(17-23(21)25)28-18-24(26)27/h9-10,12-15,17H,2-8,11,16,18H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-42 formation LPECL assay				Bioorg Med Chem Lett 17: 5428-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.044 BindingDB Entry DOI: 10.7270/Q28P63B0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477335 (CHEMBL247693) Show SMILES CCCCCCCCCCn1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C24H31NO3/c1-2-3-4-5-6-7-8-11-16-25-22-13-10-9-12-20(22)21-15-14-19(17-23(21)25)28-18-24(26)27/h9-10,12-15,17H,2-8,11,16,18H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta42 formation LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477338 (CHEMBL248090) Show SMILES OC(=O)COc1ccc2c(c1)n(c1ccccc21)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H19NO5S/c28-26(29)17-32-20-12-15-23-22-8-4-5-9-24(22)27(25(23)16-20)33(30,31)21-13-10-19(11-14-21)18-6-2-1-3-7-18/h1-16H,17H2,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta-38 formation by LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477331 (CHEMBL396693) Show SMILES OC(=O)COc1ccc2c(c1)n(c1ccccc21)S(=O)(=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C20H13F2NO5S/c21-12-7-13(22)9-15(8-12)29(26,27)23-18-4-2-1-3-16(18)17-6-5-14(10-19(17)23)28-11-20(24)25/h1-10H,11H2,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta-38 formation by LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477325 (CHEMBL248089) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C21H17NO5S/c1-14-6-9-16(10-7-14)28(25,26)22-19-5-3-2-4-17(19)18-11-8-15(12-20(18)22)27-13-21(23)24/h2-12H,13H2,1H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta-38 formation by LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477641 (CHEMBL249201) Show SMILES CCCCCCCCN(c1ccc(OCC(=O)OC(C)(C)C)cc1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H35F6NO5S/c1-5-6-7-8-9-10-15-35(22-11-13-23(14-12-22)39-19-25(36)40-26(2,3)4)41(37,38)24-17-20(27(29,30)31)16-21(18-24)28(32,33)34/h11-14,16-18H,5-10,15,19H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-38 formation by LPECL assay				Bioorg Med Chem Lett 17: 5428-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.044 BindingDB Entry DOI: 10.7270/Q28P63B0
					More data for this Ligand-Target Pair

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