Compile Data Set for Download or QSAR

Found 1220 hits with Last Name = 'kim' and Initial = 'o'   

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
Serine protease 1 (Bos taurus (bovine))	BDBM50076227 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H42N8O3/c31-29(32)35-16-7-12-24(26(39)28(41)34-17-13-22-8-3-1-4-9-22)36-27(40)25-14-18-37-19-15-30(33,21-38(25)37)20-23-10-5-2-6-11-23/h1-6,8-11,24-25H,7,12-21,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t24-,25-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076227 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H42N8O3/c31-29(32)35-16-7-12-24(26(39)28(41)34-17-13-22-8-3-1-4-9-22)36-27(40)25-14-18-37-19-15-30(33,21-38(25)37)20-23-10-5-2-6-11-23/h1-6,8-11,24-25H,7,12-21,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t24-,25-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076224 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H40N8O3/c30-28(31)33-15-7-12-23(25(38)27(40)34-19-22-10-5-2-6-11-22)35-26(39)24-13-16-36-17-14-29(32,20-37(24)36)18-21-8-3-1-4-9-21/h1-6,8-11,23-24H,7,12-20,32H2,(H,34,40)(H,35,39)(H4,30,31,33)/t23-,24-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50076224 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H40N8O3/c30-28(31)33-15-7-12-23(25(38)27(40)34-19-22-10-5-2-6-11-22)35-26(39)24-13-16-36-17-14-29(32,20-37(24)36)18-21-8-3-1-4-9-21/h1-6,8-11,23-24H,7,12-20,32H2,(H,34,40)(H,35,39)(H4,30,31,33)/t23-,24-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM85817 (NNC 11-1585) Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.45,.06,;3.22,1.4,;4.76,1.4,;5.39,2.81,;6.92,2.64,;7.24,1.14,;5.91,.37,;5.51,-1.12,;6.28,-2.45,;5.51,-3.79,;3.97,-3.79,;3.2,-2.45,;3.97,-1.12,;5.3,-1.89,;4.21,-2.98,;.91,.06,;-.63,.06,;-2.17,.06,;-2.94,-1.27,;-4.48,-1.27,;-5.25,.06,;-4.48,1.4,;-2.94,1.4,;-6.79,.06,;-8.33,.07,;-9.87,.06,;-10.64,1.4,;-12.18,1.4,;-12.8,2.81,;-14.33,2.64,;-14.66,1.14,;-13.32,.37,;-12.92,-1.12,;-13.69,-2.45,;-12.92,-3.79,;-11.38,-3.79,;-10.61,-2.45,;-11.38,-1.12,;-12.72,-1.89,;-11.63,-2.98,)| Show InChI InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by PDSP Ki Database									J Pharmacol Exp Ther 298: 1260-8 (2001) BindingDB Entry DOI: 10.7270/Q26M35D8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM85817 (NNC 11-1585) Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.45,.06,;3.22,1.4,;4.76,1.4,;5.39,2.81,;6.92,2.64,;7.24,1.14,;5.91,.37,;5.51,-1.12,;6.28,-2.45,;5.51,-3.79,;3.97,-3.79,;3.2,-2.45,;3.97,-1.12,;5.3,-1.89,;4.21,-2.98,;.91,.06,;-.63,.06,;-2.17,.06,;-2.94,-1.27,;-4.48,-1.27,;-5.25,.06,;-4.48,1.4,;-2.94,1.4,;-6.79,.06,;-8.33,.07,;-9.87,.06,;-10.64,1.4,;-12.18,1.4,;-12.8,2.81,;-14.33,2.64,;-14.66,1.14,;-13.32,.37,;-12.92,-1.12,;-13.69,-2.45,;-12.92,-3.79,;-11.38,-3.79,;-10.61,-2.45,;-11.38,-1.12,;-12.72,-1.89,;-11.63,-2.98,)| Show InChI InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by PDSP Ki Database									J Pharmacol Exp Ther 298: 1260-8 (2001) BindingDB Entry DOI: 10.7270/Q26M35D8
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50076219 ((3S,6R)-6-Amino-6-benzyl-octahydro-indolizine-3-ca...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C29H37N7O2S/c30-28(31)33-16-6-10-22(25(37)27-35-21-9-4-5-11-24(21)39-27)34-26(38)23-13-12-20-14-15-29(32,18-36(20)23)17-19-7-2-1-3-8-19/h1-5,7-9,11,20,22-23H,6,10,12-18,32H2,(H,34,38)(H4,30,31,33)/t20?,22-,23-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50252829 ((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O3S/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50252829 ((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O3S/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180206 ((2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 Show InChI InChI=1S/C12H15ClN6O3S/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18)/t5-,6+,7-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180206 ((2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 Show InChI InChI=1S/C12H15ClN6O3S/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18)/t5-,6+,7-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells				J Med Chem 49: 273-81 (2006) Article DOI: 10.1021/jm050595e BindingDB Entry DOI: 10.7270/Q2736QG2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180206 ((2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 Show InChI InChI=1S/C12H15ClN6O3S/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18)/t5-,6+,7-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076223 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C30H41ClN8O3/c31-23-10-8-21(9-11-23)12-16-35-28(42)26(40)24(7-4-15-36-29(32)33)37-27(41)25-13-17-38-18-14-30(34,20-39(25)38)19-22-5-2-1-3-6-22/h1-3,5-6,8-11,24-25H,4,7,12-20,34H2,(H,35,42)(H,37,41)(H4,32,33,36)/t24-,25-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO ...				J Med Chem 37: 3614-21 (1994) BindingDB Entry DOI: 10.7270/Q2348M1V
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50453675 (CHEMBL2113400) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H16ClIN6O5/c1-21-16(30)12-10(27)11(28)17(31-12)26-6-22-9-13(24-18(19)25-14(9)26)23-15(29)7-3-2-4-8(20)5-7/h2-6,10-12,17,27-28H,1H3,(H,21,30)(H,23,24,25,29)/t10-,11+,12-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A3 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Binding affinity for rat Adenosine A3 receptor				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474902 (CHEMBL187309) Show SMILES Clc1ccc(cn1)C1CC2CCC1CN2 |THB:4:7:14.13:11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-4-2-9(7-15-12)11-5-10-3-1-8(11)6-14-10/h2,4,7-8,10-11,14H,1,3,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes				Bioorg Med Chem Lett 14: 5573-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.058 BindingDB Entry DOI: 10.7270/Q2XG9TWT
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 1612-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.070 BindingDB Entry DOI: 10.7270/Q2RN38QV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells				J Med Chem 49: 273-81 (2006) Article DOI: 10.1021/jm050595e BindingDB Entry DOI: 10.7270/Q2736QG2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed CHO cells after 60 mins by gamma counting				Bioorg Med Chem 18: 7015-21 (2010) Article DOI: 10.1016/j.bmc.2010.08.018 BindingDB Entry DOI: 10.7270/Q21N81CV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 3159-62 (2007) Article DOI: 10.1021/jm070259t BindingDB Entry DOI: 10.7270/Q2513XXX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180219 ((2-chloropurin-9-yl)-3,4-dihydroxytetrahydrothiphe...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 Show InChI InChI=1S/C11H13ClN6O3S/c1-14-9(21)6-4(19)5(20)10(22-6)18-2-15-3-7(13)16-11(12)17-8(3)18/h2,4-6,10,19-20H,1H3,(H,14,21)(H2,13,16,17)/t4-,5+,6-,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells				J Med Chem 49: 273-81 (2006) Article DOI: 10.1021/jm050595e BindingDB Entry DOI: 10.7270/Q2736QG2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50304635 (9-(5'-Ethylaminocarbonyl-4-thio-beta-D-ribofuranos...) Show SMILES CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C19H21IN6O3S/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076225 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES COc1ccc(CCNC(=O)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCN3CC[C@@](N)(Cc4ccccc4)CN23)cc1 Show InChI InChI=1S/C31H44N8O4/c1-43-24-11-9-22(10-12-24)13-17-35-29(42)27(40)25(8-5-16-36-30(32)33)37-28(41)26-14-18-38-19-15-31(34,21-39(26)38)20-23-6-3-2-4-7-23/h2-4,6-7,9-12,25-26H,5,8,13-21,34H2,1H3,(H,35,42)(H,37,41)(H4,32,33,36)/t25-,26-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					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	PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes				J Med Chem 37: 3614-21 (1994) BindingDB Entry DOI: 10.7270/Q2348M1V
					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	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes				J Med Chem 37: 3614-21 (1994) BindingDB Entry DOI: 10.7270/Q2348M1V
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C28H36N8O2S/c29-27(30)32-14-6-10-21(24(37)26-34-20-9-4-5-11-23(20)39-26)33-25(38)22-12-15-35-16-13-28(31,18-36(22)35)17-19-7-2-1-3-8-19/h1-5,7-9,11,21-22H,6,10,12-18,31H2,(H,33,38)(H4,29,30,32)/t21-,22-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C28H36N8O2S/c29-27(30)32-14-6-10-21(24(37)26-34-20-9-4-5-11-23(20)39-26)33-25(38)22-12-15-35-16-13-28(31,18-36(22)35)17-19-7-2-1-3-8-19/h1-5,7-9,11,21-22H,6,10,12-18,31H2,(H,33,38)(H4,29,30,32)/t21-,22-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180204 ((2S,3S,4R,5R)-5-(2-chloro-6-(cyclopropylamino)-9H-...) Show SMILES CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C15H19ClN6O3S/c1-2-17-13(25)10-8(23)9(24)14(26-10)22-5-18-7-11(19-6-3-4-6)20-15(16)21-12(7)22/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,17,25)(H,19,20,21)/t8-,9+,10-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells				J Med Chem 49: 273-81 (2006) Article DOI: 10.1021/jm050595e BindingDB Entry DOI: 10.7270/Q2736QG2
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50373326 (CHEMBL444278) Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells				J Med Chem 46: 4974-87 (2003) Article DOI: 10.1021/jm030127+ BindingDB Entry DOI: 10.7270/Q2NS0T9D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Rattus norvegicus)	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076219 ((3S,6R)-6-Amino-6-benzyl-octahydro-indolizine-3-ca...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C29H37N7O2S/c30-28(31)33-16-6-10-22(25(37)27-35-21-9-4-5-11-24(21)39-27)34-26(38)23-13-12-20-14-15-29(32,18-36(20)23)17-19-7-2-1-3-8-19/h1-5,7-9,11,20,22-23H,6,10,12-18,32H2,(H,34,38)(H4,30,31,33)/t20?,22-,23-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076219 ((3S,6R)-6-Amino-6-benzyl-octahydro-indolizine-3-ca...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C29H37N7O2S/c30-28(31)33-16-6-10-22(25(37)27-35-21-9-4-5-11-24(21)39-27)34-26(38)23-13-12-20-14-15-29(32,18-36(20)23)17-19-7-2-1-3-8-19/h1-5,7-9,11,20,22-23H,6,10,12-18,32H2,(H,34,38)(H4,30,31,33)/t20?,22-,23-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against thrombin.				J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180209 ((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...) Show SMILES CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H20ClIN6O3S/c1-2-22-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(20)26-16(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,2,7H2,1H3,(H,22,30)(H,23,25,26)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells				J Med Chem 49: 273-81 (2006) Article DOI: 10.1021/jm050595e BindingDB Entry DOI: 10.7270/Q2736QG2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50304631 (9-(5'-Cyclopentylaminocarbonyl-4'-thio-beta-D-ribo...) Show SMILES CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C16H22N6O3S/c1-17-13-9-14(19-6-18-13)22(7-20-9)16-11(24)10(23)12(26-16)15(25)21-8-4-2-3-5-8/h6-8,10-12,16,23-24H,2-5H2,1H3,(H,21,25)(H,17,18,19)/t10-,11+,12-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50304634 (9-(5'-Ethylaminocarbonyl-4'-thio-beta-D-ribofurano...) Show SMILES CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r| Show InChI InChI=1S/C13H18N6O3S/c1-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14-2)16-4-17-11(6)19/h4-5,7-9,13,20-21H,3H2,1-2H3,(H,15,22)(H,14,16,17)/t7-,8+,9-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50293031 (2-chloro-N6-(3-iodobenzyl)-5'-N-methylcarbamoylade...) Show SMILES CNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O5/c1-22-19(30)31-7-11-13(28)14(29)17(32-11)27-8-24-12-15(25-18(20)26-16(12)27)23-6-9-3-2-4-10(21)5-9/h2-5,8,11,13-14,17,28-29H,6-7H2,1H3,(H,22,30)(H,23,25,26)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50304630 (9-(5'-Cyclobutylaminocarbonyl-4'-thio-beta-D-ribof...) Show SMILES CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1 |r| Show InChI InChI=1S/C15H20N6O3S/c1-16-12-8-13(18-5-17-12)21(6-19-8)15-10(23)9(22)11(25-15)14(24)20-7-3-2-4-7/h5-7,9-11,15,22-23H,2-4H2,1H3,(H,20,24)(H,16,17,18)/t9-,10+,11-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A3 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair

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