Compile Data Set for Download or QSAR

Found 865 hits with Last Name = 'thomsen' and Initial = 'c'   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281137 ((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenylsulfanyl-pipe...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4S/c22-21-24-18(26-27-8-6-13(7-9-27)33-12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21221 ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Binding affinity for adenosine A3 receptor as inhibition of [125I]-AB-MECA binding to human receptor expressed in HEK 293 cells				Bioorg Med Chem Lett 8: 1767-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V3R
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [3H]-R-PIA from adenosine A1 receptor of Wistar rat forebrain				J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281132 ((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenoxy-piperidin-1...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Oc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O5/c22-21-24-18(26-27-8-6-13(7-9-27)32-12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)33-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080399 ((2R,3R,4S,5R)-2-[6-((1R,2R)-2-Hydroxy-cyclopentyla...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12 Show InChI InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [3H]-R-PIA from adenosine A1 receptor of Wistar rat forebrain				J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281152 ((2R,3R,4S,5R)-2-[2-Fluoro-6-(piperidin-1-ylamino)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(F)nc12 Show InChI InChI=1S/C15H21FN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080389 ((2S,3S,4R,5R)-2-Chloromethyl-5-[2-chloro-6-(4-phen...) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H24Cl2N6O3S/c22-10-14-16(30)17(31)20(32-14)29-11-24-15-18(25-21(23)26-19(15)29)27-28-8-6-13(7-9-28)33-12-4-2-1-3-5-12/h1-5,11,13-14,16-17,20,30-31H,6-10H2,(H,25,26,27)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [3H]-R-PIA from adenosine A1 receptor of Wistar rat forebrain				J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50237707 (A-804598 | CHEMBL1628690) Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281143 ((2R,3R,4S,5R)-2-[2-Chloro-6-(2,6-dimethyl-piperidi...) Show SMILES CC1CCCC(C)N1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H25ClN6O4/c1-8-4-3-5-9(2)24(8)22-14-11-15(21-17(18)20-14)23(7-19-11)16-13(27)12(26)10(6-25)28-16/h7-10,12-13,16,25-27H,3-6H2,1-2H3,(H,20,21,22)/t8?,9?,10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080400 ((2R,3R,4S,5R)-2-[2-Chloro-6-(piperidin-1-ylamino)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H21ClN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080400 ((2R,3R,4S,5R)-2-[2-Chloro-6-(piperidin-1-ylamino)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H21ClN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [3H]-R-PIA from adenosine A1 receptor of Wistar rat forebrain				J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM198970 (BDBM199009 | BDBM199010 | US9221832, 34) Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416603 (CHEMBL1222883) Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281131 ((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-3,6-dihydro-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(=CC3)c3ccccc3)nc(Cl)nc12 |c:19| Show InChI InChI=1S/C21H23ClN6O4/c22-21-24-18(26-27-8-6-13(7-9-27)12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-6,11,14,16-17,20,29-31H,7-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50410956 (CHEMBL437703) Show SMILES FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50070866 ((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1c1ccon1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H16ClIN6O4/c20-19-24-16(22-7-9-2-1-3-10(21)6-9)12-17(25-19)27(8-23-12)18-14(29)13(28)15(31-18)11-4-5-30-26-11/h1-6,8,13-15,18,28-29H,7H2,(H,22,24,25)/t13-,14+,15+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Binding affinity for adenosine A3 receptor as inhibition of [125I]-AB-MECA binding to human receptor expressed in HEK 293 cells				Bioorg Med Chem Lett 8: 1767-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V3R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50237707 (A-804598 | CHEMBL1628690) Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281144 ((2R,3R,4S,5R)-2-[6-(Azepan-1-ylamino)-2-chloro-pur...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H23ClN6O4/c17-16-19-13(21-22-5-3-1-2-4-6-22)10-14(20-16)23(8-18-10)15-12(26)11(25)9(7-24)27-15/h8-9,11-12,15,24-26H,1-7H2,(H,19,20,21)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281140 ((2R,3R,4S,5R)-2-[2-Bromo-6-(piperidin-1-ylamino)-p...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Br)nc12 Show InChI InChI=1S/C15H21BrN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281142 ((2R,3R,4S,5R)-2-[2-Chloro-6-((S)-2-methoxymethyl-p...) Show SMILES COC[C@@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C16H23ClN6O5/c1-27-6-8-3-2-4-23(8)21-13-10-14(20-16(17)19-13)22(7-18-10)15-12(26)11(25)9(5-24)28-15/h7-9,11-12,15,24-26H,2-6H2,1H3,(H,19,20,21)/t8-,9+,11+,12+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from adenosine A2A receptor of rat striatal tissue				J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281150 ((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-piperidin-1-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4/c22-21-24-18(26-27-8-6-13(7-9-27)12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281151 ((2R,3R,4S,5R)-2-[2-Chloro-6-((R)-2-methoxymethyl-p...) Show SMILES COC[C@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C16H23ClN6O5/c1-27-6-8-3-2-4-23(8)21-13-10-14(20-16(17)19-13)22(7-18-10)15-12(26)11(25)9(5-24)28-15/h7-9,11-12,15,24-26H,2-6H2,1H3,(H,19,20,21)/t8-,9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281133 ((2R,3R,4S,5R)-2-[2-Chloro-6-(3-hydroxy-piperidin-1...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(O)C3)nc(Cl)nc12 Show InChI InChI=1S/C15H21ClN6O5/c16-15-18-12(20-21-3-1-2-7(24)4-21)9-13(19-15)22(6-17-9)14-11(26)10(25)8(5-23)27-14/h6-8,10-11,14,23-26H,1-5H2,(H,18,19,20)/t7?,8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080358 (1-{2-[2,2-Bis-(2-chloro-phenyl)-vinyloxy]-ethyl}-1...) Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2ccccc2Cl)-c2ccccc2Cl)-[#6]-1 |t:3| Show InChI InChI=1S/C22H21Cl2NO3/c23-20-9-3-1-7-17(20)19(18-8-2-4-10-21(18)24)15-28-13-12-25-11-5-6-16(14-25)22(26)27/h1-4,6-10,15H,5,11-14H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080382 ((R)-1-{2-[(Z)-2-(2-Chloro-phenyl)-2-o-tolyl-vinylo...) Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1Cl Show InChI InChI=1S/C23H26ClNO3/c1-17-7-2-3-9-19(17)21(20-10-4-5-11-22(20)24)16-28-14-13-25-12-6-8-18(15-25)23(26)27/h2-5,7,9-11,16,18H,6,8,12-15H2,1H3,(H,26,27)/b21-16-/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080367 ((R)-1-{2-[(Z)-2-(2-Chloro-phenyl)-2-phenyl-vinylox...) Show SMILES OC(=O)[C@@H]1CCCN(CCO\C=C(\c2ccccc2)c2ccccc2Cl)C1 Show InChI InChI=1S/C22H24ClNO3/c23-21-11-5-4-10-19(21)20(17-7-2-1-3-8-17)16-27-14-13-24-12-6-9-18(15-24)22(25)26/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,26)/b20-16-/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50587051 (CHEMBL5086274) Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281138 ((2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H19ClN6O5/c15-14-17-11(19-20-1-3-25-4-2-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)26-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281139 ((2R,3R,4S,5R)-2-[2-Chloro-6-(3-phenylsulfanyl-pipe...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Sc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4S/c22-21-24-18(26-27-8-4-7-13(9-27)33-12-5-2-1-3-6-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-3,5-6,11,13-14,16-17,20,29-31H,4,7-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080337 ((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] Show InChI InChI=1S/C20H25NO3S2/c1-14-5-10-25-18(14)17(19-15(2)6-11-26-19)13-24-9-8-21-7-3-4-16(12-21)20(22)23/h5-6,10-11,13,16H,3-4,7-9,12H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50267791 (AZD-9056 | AZD9056) Show SMILES OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24| Show InChI InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281148 ((2R,3R,4S,5R)-2-[2-Chloro-6-(3-phenoxy-piperidin-1...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Oc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O5/c22-21-24-18(26-27-8-4-7-13(9-27)32-12-5-2-1-3-6-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)33-20/h1-3,5-6,11,13-14,16-17,20,29-31H,4,7-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080395 ((2R,3R,4S,5R)-2-[2-Chloro-6-((S)-1-methyl-2-phenox...) Show SMILES C[C@@H](COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C19H22ClN5O5/c1-10(8-29-11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(9-21-13)18-15(28)14(27)12(7-26)30-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H,22,23,24)/t10-,12+,14+,15+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [3H]-R-PIA from adenosine A1 receptor of Wistar rat forebrain				J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50410956 (CHEMBL437703) Show SMILES FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50281145 ((2R,3R,4S,5R)-2-[2-Chloro-6-(2-phenyl-piperidin-1-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4/c22-21-24-18(26-28-9-5-4-8-13(28)12-6-2-1-3-7-12)15-19(25-21)27(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-3,6-7,11,13-14,16-17,20,29-31H,4-5,8-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A2 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080376 ((R)-1-{2-[(E)-2-(3-Methyl-thiophen-2-yl)-2-o-tolyl...) Show SMILES Cc1ccsc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C Show InChI InChI=1S/C22H27NO3S/c1-16-6-3-4-8-19(16)20(21-17(2)9-13-27-21)15-26-12-11-23-10-5-7-18(14-23)22(24)25/h3-4,6,8-9,13,15,18H,5,7,10-12,14H2,1-2H3,(H,24,25)/b20-15+/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281130 ((2R,3R,4S,5R)-2-[6-(4-Benzenesulfonyl-piperidin-1-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)S(=O)(=O)c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O6S/c22-21-24-18(15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)34-20)26-27-8-6-13(7-9-27)35(32,33)12-4-2-1-3-5-12/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080335 ((R)-1-[2-(2,2-Di-o-tolyl-vinyloxy)-ethyl]-piperidi...) Show SMILES [#6]-c1ccccc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] Show InChI InChI=1S/C24H29NO3/c1-18-8-3-5-11-21(18)23(22-12-6-4-9-19(22)2)17-28-15-14-25-13-7-10-20(16-25)24(26)27/h3-6,8-9,11-12,17,20H,7,10,13-16H2,1-2H3,(H,26,27)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080327 (1-{2-[(Z)-2-(2-Fluoro-phenyl)-2-o-tolyl-vinyloxy]-...) Show SMILES Cc1ccccc1\C(=C\OCCN1CCC=C(C1)C(O)=O)c1ccccc1F |c:16| Show InChI InChI=1S/C23H24FNO3/c1-17-7-2-3-9-19(17)21(20-10-4-5-11-22(20)24)16-28-14-13-25-12-6-8-18(15-25)23(26)27/h2-5,7-11,16H,6,12-15H2,1H3,(H,26,27)/b21-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50070867 ((2R,3R,4S,5R)-2-(2-Chloro-6-methoxyamino-purin-9-y...) Show SMILES CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](C=C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H14ClN5O4/c1-3-5-7(19)8(20)11(22-5)18-4-14-6-9(17-21-2)15-12(13)16-10(6)18/h3-5,7-8,11,19-20H,1H2,2H3,(H,15,16,17)/t5-,7-,8-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Binding affinity for adenosine A3 receptor as inhibition of [125I]-AB-MECA binding to human receptor expressed in HEK 293 cells				Bioorg Med Chem Lett 8: 1767-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V3R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080375 ((R)-1-[2-((E)-2-Phenyl-2-o-tolyl-vinyloxy)-ethyl]-...) Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C23H27NO3/c1-18-8-5-6-12-21(18)22(19-9-3-2-4-10-19)17-27-15-14-24-13-7-11-20(16-24)23(25)26/h2-6,8-10,12,17,20H,7,11,13-16H2,1H3,(H,25,26)/b22-17+/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50080390 ((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...) Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from adenosine A2A receptor of rat striatal tissue				J Med Chem 42: 3463-77 (1999) Article DOI: 10.1021/jm960682u BindingDB Entry DOI: 10.7270/Q2222SZR
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080368 (1-[2-(2,2-Di-o-tolyl-vinyloxy)-ethyl]-1,2,5,6-tetr...) Show SMILES [#6]-c1ccccc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] |c:16| Show InChI InChI=1S/C24H27NO3/c1-18-8-3-5-11-21(18)23(22-12-6-4-9-19(22)2)17-28-15-14-25-13-7-10-20(16-25)24(26)27/h3-6,8-12,17H,7,13-16H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50070864 ((2R,3R,4S,5S)-2-(2-Chloro-6-methoxyamino-purin-9-y...) Show SMILES CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H13Cl2N5O4/c1-21-17-8-5-9(16-11(13)15-8)18(3-14-5)10-7(20)6(19)4(2-12)22-10/h3-4,6-7,10,19-20H,2H2,1H3,(H,15,16,17)/t4-,6-,7-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Binding affinity for adenosine A3 receptor as inhibition of [125I]-AB-MECA binding to human receptor expressed in HEK 293 cells				Bioorg Med Chem Lett 8: 1767-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V3R
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080388 ((R)-1-{2-[(E)-2-(3-Fluoro-phenyl)-2-o-tolyl-vinylo...) Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C23H26FNO3/c1-17-6-2-3-10-21(17)22(18-7-4-9-20(24)14-18)16-28-13-12-25-11-5-8-19(15-25)23(26)27/h2-4,6-7,9-10,14,16,19H,5,8,11-13,15H2,1H3,(H,26,27)/b22-16+/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281141 ((2R,3R,4S,5R)-2-[2-Amino-6-(piperidin-1-ylamino)-p...) Show SMILES Nc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C15H23N7O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H3,16,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080331 ((R)-1-{2-[(Z)-2-(4-Fluoro-2-methyl-phenyl)-2-o-tol...) Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccc(F)cc1C Show InChI InChI=1S/C24H28FNO3/c1-17-6-3-4-8-21(17)23(22-10-9-20(25)14-18(22)2)16-29-13-12-26-11-5-7-19(15-26)24(27)28/h3-4,6,8-10,14,16,19H,5,7,11-13,15H2,1-2H3,(H,27,28)/b23-16-/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair

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