Compile Data Set for Download or QSAR

Found 2158 hits with Last Name = 'lee' and Initial = 'sj'   

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
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University College of Medicine Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin)				Bioorg Med Chem Lett 28: 572-576 (2018) Article DOI: 10.1016/j.bmcl.2018.01.047 BindingDB Entry DOI: 10.7270/Q2RN3BGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50454862 (CHEMBL4211875) Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S(O)(=O)=O |r,c:9| Show InChI InChI=1S/C74H96N10O30S4/c1-6-83-53-29-24-44-46(38-42(115(103,104)105)40-55(44)117(109,110)111)64(53)73(2,3)57(83)20-9-7-10-21-58-74(4,5)65-47-39-43(116(106,107)108)41-56(118(112,113)114)45(47)25-30-54(65)84(58)37-16-8-11-22-59(85)76-36-17-23-61(87)78-48(66(92)77-35-15-13-19-50(68(95)96)80-72(102)82-52(70(99)100)28-33-63(90)91)26-31-60(86)75-34-14-12-18-49(67(93)94)79-71(101)81-51(69(97)98)27-32-62(88)89/h7,9-10,20-21,24-25,29-30,38-41,48-52H,6,8,11-19,22-23,26-28,31-37H2,1-5H3,(H17-,75,76,77,78,79,80,81,82,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114)/t48-,49-,50-,51-,52-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University College of Medicine Curated by ChEMBL					Assay Description Inhibition of PSMA in human LNCaP cell lysates incubated for 2 hrs in presence of N-acetylaspartylglutamate by Amplex red glutamic acid/glutamate oxi...				Bioorg Med Chem Lett 28: 572-576 (2018) Article DOI: 10.1016/j.bmcl.2018.01.047 BindingDB Entry DOI: 10.7270/Q2RN3BGJ
					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
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50454861 (CHEMBL4206989) Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCN(CC(=O)Nc3ccc(cc3)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)CC(=O)Nc3ccc(cc3)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S(O)(=O)=O |r,c:9| Show InChI InChI=1S/C86H104N12O31S4/c1-6-97-64-35-31-56-58(44-54(130(118,119)120)46-66(56)132(124,125)126)75(64)85(2,3)68(97)20-9-7-10-21-69-86(4,5)76-59-45-55(131(121,122)123)47-67(133(127,128)129)57(59)32-36-65(76)98(69)43-16-8-11-22-70(99)87-41-17-42-96(48-71(100)90-52-27-23-50(24-28-52)77(106)88-39-14-12-18-60(79(108)109)92-83(116)94-62(81(112)113)33-37-73(102)103)49-72(101)91-53-29-25-51(26-30-53)78(107)89-40-15-13-19-61(80(110)111)93-84(117)95-63(82(114)115)34-38-74(104)105/h7,9-10,20-21,23-32,35-36,44-47,60-63H,6,8,11-19,22,33-34,37-43,48-49H2,1-5H3,(H18-,87,88,89,90,91,92,93,94,95,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129)/t60-,61-,62-,63-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University College of Medicine Curated by ChEMBL					Assay Description Inhibition of PSMA in human LNCaP cell lysates incubated for 2 hrs in presence of N-acetylaspartylglutamate by Amplex red glutamic acid/glutamate oxi...				Bioorg Med Chem Lett 28: 572-576 (2018) Article DOI: 10.1016/j.bmcl.2018.01.047 BindingDB Entry DOI: 10.7270/Q2RN3BGJ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50454860 (CHEMBL4202635) Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S(O)(=O)=O |r,c:9| Show InChI InChI=1S/C57H70N6O21S4/c1-6-62-42-24-21-36-38(30-34(85(73,74)75)32-44(36)87(79,80)81)51(42)56(2,3)46(62)17-9-7-10-18-47-57(4,5)52-39-31-35(86(76,77)78)33-45(88(82,83)84)37(39)22-25-43(52)63(47)29-14-8-11-19-48(64)59-28-15-20-49(65)58-27-13-12-16-40(53(68)69)60-55(72)61-41(54(70)71)23-26-50(66)67/h7,9-10,17-18,21-22,24-25,30-33,40-41H,6,8,11-16,19-20,23,26-29H2,1-5H3,(H10-,58,59,60,61,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84)/t40-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University College of Medicine Curated by ChEMBL					Assay Description Inhibition of PSMA in human LNCaP cell lysates incubated for 2 hrs in presence of N-acetylaspartylglutamate by Amplex red glutamic acid/glutamate oxi...				Bioorg Med Chem Lett 28: 572-576 (2018) Article DOI: 10.1016/j.bmcl.2018.01.047 BindingDB Entry DOI: 10.7270/Q2RN3BGJ
					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
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077661 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50397724 (CHEMBL2181971) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4-c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C24H23N5O4/c30-10-18-20(31)21(32)24(33-18)29-12-28-19-22(26-11-27-23(19)29)25-9-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,11-12,17-18,20-21,24,30-32H,9-10H2,(H,25,26,27)/t18-,20-,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50397724 (CHEMBL2181971) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4-c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C24H23N5O4/c30-10-18-20(31)21(32)24(33-18)29-12-28-19-22(26-11-27-23(19)29)25-9-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,11-12,17-18,20-21,24,30-32H,9-10H2,(H,25,26,27)/t18-,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50163015 ((2R,3R,4S,5R)-2-[6-(2,2-Diphenyl-ethylamino)-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12 Show InChI InChI=1S/C24H25N5O4/c30-12-18-20(31)21(32)24(33-18)29-14-28-19-22(26-13-27-23(19)29)25-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17-18,20-21,24,30-32H,11-12H2,(H,25,26,27)/t18-,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50085667 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(naphthalen-1-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C21H21N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11,15,17-18,21,27-29H,8-9H2,(H,22,23,24)/t15-,17-,18-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50009525 (2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077662 (2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367597 (CHEMBL604617) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C22H23N5O4/c28-10-16-18(29)19(30)22(31-16)27-12-26-17-20(24-11-25-21(17)27)23-9-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,11-12,16,18-19,22,28-30H,8-10H2,(H,23,24,25)/t16-,18-,19-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077662 (2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077660 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1 Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368546 (CHEMBL1257013 | N6-2-Phenylethyladenosine) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077663 (CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...) Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1 Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077659 (CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...) Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1 Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50085667 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(naphthalen-1-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C21H21N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11,15,17-18,21,27-29H,8-9H2,(H,22,23,24)/t15-,17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50163015 ((2R,3R,4S,5R)-2-[6-(2,2-Diphenyl-ethylamino)-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12 Show InChI InChI=1S/C24H25N5O4/c30-12-18-20(31)21(32)24(33-18)29-14-28-19-22(26-13-27-23(19)29)25-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17-18,20-21,24,30-32H,11-12H2,(H,25,26,27)/t18-,20-,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077660 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1 Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50077659 (CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...) Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1 Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077663 (CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...) Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1 Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077662 (2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077663 (CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...) Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1 Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367598 (CHEMBL604967) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4Oc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C24H23N5O5/c30-10-18-20(31)21(32)24(34-18)29-12-28-19-22(26-11-27-23(19)29)25-9-15-13-5-1-3-7-16(13)33-17-8-4-2-6-14(15)17/h1-8,11-12,15,18,20-21,24,30-32H,9-10H2,(H,25,26,27)/t18-,20-,21-,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50077661 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367598 (CHEMBL604967) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4Oc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C24H23N5O5/c30-10-18-20(31)21(32)24(34-18)29-12-28-19-22(26-11-27-23(19)29)25-9-15-13-5-1-3-7-16(13)33-17-8-4-2-6-14(15)17/h1-8,11-12,15,18,20-21,24,30-32H,9-10H2,(H,25,26,27)/t18-,20-,21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50009525 (2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50124121 (2-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) Show SMILES OCC1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C17H16ClFIN5O3/c18-17-23-14(21-5-8-2-1-3-9(20)4-8)12-15(24-17)25(7-22-12)16-13(27)11(19)10(6-26)28-16/h1-4,7,10-11,13,16,26-27H,5-6H2,(H,21,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor in CHO cells (hA3)				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077662 (2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12 Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50241166 ((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM82022 (2-(Phenylamino)ado (CV-1808) | 2-[6-Amino-2-(3-cyc...) Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50118810 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50368546 (CHEMBL1257013 | N6-2-Phenylethyladenosine) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367599 (CHEMBL609501) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C26H27N5O4/c32-12-20-22(33)23(34)26(35-20)31-14-30-21-24(28-13-29-25(21)31)27-11-19-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)19/h1-8,13-14,19-20,22-23,26,32-34H,9-12H2,(H,27,28,29)/t20-,22-,23-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077660 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1 Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077660 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1 Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077658 (1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...) Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367597 (CHEMBL604617) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C22H23N5O4/c28-10-16-18(29)19(30)22(31-16)27-12-26-17-20(24-11-25-21(17)27)23-9-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,11-12,16,18-19,22,28-30H,8-10H2,(H,23,24,25)/t16-,18-,19-,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50077661 (2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50077664 (2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...) Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1 Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
POSTECH Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride				Bioorg Med Chem Lett 9: 1379-84 (1999) BindingDB Entry DOI: 10.7270/Q2862FMC
					More data for this Ligand-Target Pair

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