Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'yuriev' and Initial = 'e'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380565 (CHEMBL2016628) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50| Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380567 (CHEMBL2016627) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:48| Show InChI InChI=1S/C48H58Cl2N10O2/c49-35-17-19-41-43(33-35)55-47(37-11-5-7-13-39(37)53-41)59-29-25-57(26-30-59)23-9-21-51-45(61)15-3-1-2-4-16-46(62)52-22-10-24-58-27-31-60(32-28-58)48-38-12-6-8-14-40(38)54-42-20-18-36(50)34-44(42)56-48/h5-8,11-14,17-20,33-34,53-54H,1-4,9-10,15-16,21-32H2,(H,51,61)(H,52,62)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380565 (CHEMBL2016628) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50| Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380567 (CHEMBL2016627) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:48| Show InChI InChI=1S/C48H58Cl2N10O2/c49-35-17-19-41-43(33-35)55-47(37-11-5-7-13-39(37)53-41)59-29-25-57(26-30-59)23-9-21-51-45(61)15-3-1-2-4-16-46(62)52-22-10-24-58-27-31-60(32-28-58)48-38-12-6-8-14-40(38)54-42-20-18-36(50)34-44(42)56-48/h5-8,11-14,17-20,33-34,53-54H,1-4,9-10,15-16,21-32H2,(H,51,61)(H,52,62)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380582 (CHEMBL2016626) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:46| Show InChI InChI=1S/C46H54Cl2N10O2/c47-33-15-17-39-41(31-33)53-45(35-9-1-3-11-37(35)51-39)57-27-23-55(24-28-57)21-7-19-49-43(59)13-5-6-14-44(60)50-20-8-22-56-25-29-58(30-26-56)46-36-10-2-4-12-38(36)52-40-18-16-34(48)32-42(40)54-46/h1-4,9-12,15-18,31-32,51-52H,5-8,13-14,19-30H2,(H,49,59)(H,50,60)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380582 (CHEMBL2016626) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:46| Show InChI InChI=1S/C46H54Cl2N10O2/c47-33-15-17-39-41(31-33)53-45(35-9-1-3-11-37(35)51-39)57-27-23-55(24-28-57)21-7-19-49-43(59)13-5-6-14-44(60)50-20-8-22-56-25-29-58(30-26-56)46-36-10-2-4-12-38(36)52-40-18-16-34(48)32-42(40)54-46/h1-4,9-12,15-18,31-32,51-52H,5-8,13-14,19-30H2,(H,49,59)(H,50,60)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176058 (2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...) Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380583 (CHEMBL2016625) Show SMILES CCCCCCCCCC(=O)NCCCN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:22| Show InChI InChI=1S/C30H42ClN5O/c1-2-3-4-5-6-7-8-14-29(37)32-17-11-18-35-19-21-36(22-20-35)30-25-12-9-10-13-26(25)33-27-16-15-24(31)23-28(27)34-30/h9-10,12-13,15-16,23,33H,2-8,11,14,17-22H2,1H3,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380583 (CHEMBL2016625) Show SMILES CCCCCCCCCC(=O)NCCCN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:22| Show InChI InChI=1S/C30H42ClN5O/c1-2-3-4-5-6-7-8-14-29(37)32-17-11-18-35-19-21-36(22-20-35)30-25-12-9-10-13-26(25)33-27-16-15-24(31)23-28(27)34-30/h9-10,12-13,15-16,23,33H,2-8,11,14,17-22H2,1H3,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176058 (2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...) Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380581 (CHEMBL2016631) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCCCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:58| Show InChI InChI=1S/C58H78Cl2N10O2/c59-45-27-29-51-53(43-45)65-57(47-21-15-17-23-49(47)63-51)69-39-35-67(36-40-69)33-19-31-61-55(71)25-13-11-9-7-5-3-1-2-4-6-8-10-12-14-26-56(72)62-32-20-34-68-37-41-70(42-38-68)58-48-22-16-18-24-50(48)64-52-30-28-46(60)44-54(52)66-58/h15-18,21-24,27-30,43-44,63-64H,1-14,19-20,25-26,31-42H2,(H,61,71)(H,62,72)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380581 (CHEMBL2016631) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCCCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:58| Show InChI InChI=1S/C58H78Cl2N10O2/c59-45-27-29-51-53(43-45)65-57(47-21-15-17-23-49(47)63-51)69-39-35-67(36-40-69)33-19-31-61-55(71)25-13-11-9-7-5-3-1-2-4-6-8-10-12-14-26-56(72)62-32-20-34-68-37-41-70(42-38-68)58-48-22-16-18-24-50(48)64-52-30-28-46(60)44-54(52)66-58/h15-18,21-24,27-30,43-44,63-64H,1-14,19-20,25-26,31-42H2,(H,61,71)(H,62,72)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	774	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	841	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Monoglyceride lipase (Mus musculus (mouse))	BDBM60622 (BDBM50300355 | US11753371, Compound JZL-184 | US91...) Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant MAGL expressed in african green monkey COS7 cells assessed as inhibition of 2-AG hydrolysis after 30 mins by LC-MS an...				Bioorg Med Chem Lett 21: 6782-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.038 BindingDB Entry DOI: 10.7270/Q2TH8N3G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380567 (CHEMBL2016627) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:48| Show InChI InChI=1S/C48H58Cl2N10O2/c49-35-17-19-41-43(33-35)55-47(37-11-5-7-13-39(37)53-41)59-29-25-57(26-30-59)23-9-21-51-45(61)15-3-1-2-4-16-46(62)52-22-10-24-58-27-31-60(32-28-58)48-38-12-6-8-14-40(38)54-42-20-18-36(50)34-44(42)56-48/h5-8,11-14,17-20,33-34,53-54H,1-4,9-10,15-16,21-32H2,(H,51,61)(H,52,62)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380567 (CHEMBL2016627) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:48| Show InChI InChI=1S/C48H58Cl2N10O2/c49-35-17-19-41-43(33-35)55-47(37-11-5-7-13-39(37)53-41)59-29-25-57(26-30-59)23-9-21-51-45(61)15-3-1-2-4-16-46(62)52-22-10-24-58-27-31-60(32-28-58)48-38-12-6-8-14-40(38)54-42-20-18-36(50)34-44(42)56-48/h5-8,11-14,17-20,33-34,53-54H,1-4,9-10,15-16,21-32H2,(H,51,61)(H,52,62)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.4	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491458 (CHEMBL2381774) Show SMILES CCCC(=O)Oc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1 Show InChI InChI=1S/C20H21N7O3/c1-2-4-16(28)30-14-8-6-13(7-9-14)10-11-22-19-24-18(21)27-20(25-19)23-17(26-27)15-5-3-12-29-15/h3,5-9,12H,2,4,10-11H2,1H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491458 (CHEMBL2381774) Show SMILES CCCC(=O)Oc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1 Show InChI InChI=1S/C20H21N7O3/c1-2-4-16(28)30-14-8-6-13(7-9-14)10-11-22-19-24-18(21)27-20(25-19)23-17(26-27)15-5-3-12-29-15/h3,5-9,12H,2,4,10-11H2,1H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491465 (CHEMBL2381773) Show SMILES CC(=O)Oc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1 Show InChI InChI=1S/C18H17N7O3/c1-11(26)28-13-6-4-12(5-7-13)8-9-20-17-22-16(19)25-18(23-17)21-15(24-25)14-3-2-10-27-14/h2-7,10H,8-9H2,1H3,(H3,19,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491465 (CHEMBL2381773) Show SMILES CC(=O)Oc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1 Show InChI InChI=1S/C18H17N7O3/c1-11(26)28-13-6-4-12(5-7-13)8-9-20-17-22-16(19)25-18(23-17)21-15(24-25)14-3-2-10-27-14/h2-7,10H,8-9H2,1H3,(H3,19,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491462 (CHEMBL2381761) Show SMILES Nc1nc(OCCc2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H14N6O2/c17-14-19-16(24-10-8-11-5-2-1-3-6-11)20-15-18-13(21-22(14)15)12-7-4-9-23-12/h1-7,9H,8,10H2,(H2,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491462 (CHEMBL2381761) Show SMILES Nc1nc(OCCc2ccccc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H14N6O2/c17-14-19-16(24-10-8-11-5-2-1-3-6-11)20-15-18-13(21-22(14)15)12-7-4-9-23-12/h1-7,9H,8,10H2,(H2,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380565 (CHEMBL2016628) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50| Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380565 (CHEMBL2016628) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50| Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.7	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491457 (CHEMBL2381770) Show SMILES CCOC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1 Show InChI InChI=1S/C22H25N7O4/c1-2-31-18(30)6-4-13-32-16-9-7-15(8-10-16)11-12-24-21-26-20(23)29-22(27-21)25-19(28-29)17-5-3-14-33-17/h3,5,7-10,14H,2,4,6,11-13H2,1H3,(H3,23,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491457 (CHEMBL2381770) Show SMILES CCOC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1 Show InChI InChI=1S/C22H25N7O4/c1-2-31-18(30)6-4-13-32-16-9-7-15(8-10-16)11-12-24-21-26-20(23)29-22(27-21)25-19(28-29)17-5-3-14-33-17/h3,5,7-10,14H,2,4,6,11-13H2,1H3,(H3,23,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380582 (CHEMBL2016626) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:46| Show InChI InChI=1S/C46H54Cl2N10O2/c47-33-15-17-39-41(31-33)53-45(35-9-1-3-11-37(35)51-39)57-27-23-55(24-28-57)21-7-19-49-43(59)13-5-6-14-44(60)50-20-8-22-56-25-29-58(30-26-56)46-36-10-2-4-12-38(36)52-40-18-16-34(48)32-42(40)54-46/h1-4,9-12,15-18,31-32,51-52H,5-8,13-14,19-30H2,(H,49,59)(H,50,60)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380582 (CHEMBL2016626) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:46| Show InChI InChI=1S/C46H54Cl2N10O2/c47-33-15-17-39-41(31-33)53-45(35-9-1-3-11-37(35)51-39)57-27-23-55(24-28-57)21-7-19-49-43(59)13-5-6-14-44(60)50-20-8-22-56-25-29-58(30-26-56)46-36-10-2-4-12-38(36)52-40-18-16-34(48)32-42(40)54-46/h1-4,9-12,15-18,31-32,51-52H,5-8,13-14,19-30H2,(H,49,59)(H,50,60)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87.1	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491456 (CHEMBL2381757) Show SMILES CCCCCCCCCC(=O)Oc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1 Show InChI InChI=1S/C26H33N7O3/c1-2-3-4-5-6-7-8-11-22(34)36-20-14-12-19(13-15-20)16-17-28-25-30-24(27)33-26(31-25)29-23(32-33)21-10-9-18-35-21/h9-10,12-15,18H,2-8,11,16-17H2,1H3,(H3,27,28,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491459 (CHEMBL2381760) Show SMILES Nc1nc(NCCc2ccc(Br)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H14BrN7O/c17-11-5-3-10(4-6-11)7-8-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-9-25-12/h1-6,9H,7-8H2,(H3,18,19,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491456 (CHEMBL2381757) Show SMILES CCCCCCCCCC(=O)Oc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1 Show InChI InChI=1S/C26H33N7O3/c1-2-3-4-5-6-7-8-11-22(34)36-20-14-12-19(13-15-20)16-17-28-25-30-24(27)33-26(31-25)29-23(32-33)21-10-9-18-35-21/h9-10,12-15,18H,2-8,11,16-17H2,1H3,(H3,27,28,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491459 (CHEMBL2381760) Show SMILES Nc1nc(NCCc2ccc(Br)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H14BrN7O/c17-11-5-3-10(4-6-11)7-8-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-9-25-12/h1-6,9H,7-8H2,(H3,18,19,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 6...				Bioorg Med Chem Lett 23: 3427-33 (2013) Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380580 (CHEMBL2016607) Show SMILES CCCCCCCCCC(=O)N1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:20| Show InChI InChI=1S/C28H37ClN4O/c1-3-4-5-6-7-8-9-14-27(34)33-25-13-11-10-12-23(25)28(32-19-17-31(2)18-20-32)30-24-21-22(29)15-16-26(24)33/h10-13,15-16,21H,3-9,14,17-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	776	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380580 (CHEMBL2016607) Show SMILES CCCCCCCCCC(=O)N1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:20| Show InChI InChI=1S/C28H37ClN4O/c1-3-4-5-6-7-8-9-14-27(34)33-25-13-11-10-12-23(25)28(32-19-17-31(2)18-20-32)30-24-21-22(29)15-16-26(24)33/h10-13,15-16,21H,3-9,14,17-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	776	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380585 (CHEMBL2016629) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:52| Show InChI InChI=1S/C52H66Cl2N10O2/c53-39-21-23-45-47(37-39)59-51(41-15-9-11-17-43(41)57-45)63-33-29-61(30-34-63)27-13-25-55-49(65)19-7-5-3-1-2-4-6-8-20-50(66)56-26-14-28-62-31-35-64(36-32-62)52-42-16-10-12-18-44(42)58-46-24-22-40(54)38-48(46)60-52/h9-12,15-18,21-24,37-38,57-58H,1-8,13-14,19-20,25-36H2,(H,55,65)(H,56,66)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380585 (CHEMBL2016629) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:52| Show InChI InChI=1S/C52H66Cl2N10O2/c53-39-21-23-45-47(37-39)59-51(41-15-9-11-17-43(41)57-45)63-33-29-61(30-34-63)27-13-25-55-49(65)19-7-5-3-1-2-4-6-8-20-50(66)56-26-14-28-62-31-35-64(36-32-62)52-42-16-10-12-18-44(42)58-46-24-22-40(54)38-48(46)60-52/h9-12,15-18,21-24,37-38,57-58H,1-8,13-14,19-20,25-36H2,(H,55,65)(H,56,66)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50380583 (CHEMBL2016625) Show SMILES CCCCCCCCCC(=O)NCCCN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:22| Show InChI InChI=1S/C30H42ClN5O/c1-2-3-4-5-6-7-8-14-29(37)32-17-11-18-35-19-21-36(22-20-35)30-25-12-9-10-13-26(25)33-27-16-15-24(31)23-28(27)34-30/h9-10,12-13,15-16,23,33H,2-8,11,14,17-22H2,1H3,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...				J Med Chem 55: 1622-34 (2012) Article DOI: 10.1021/jm201420s BindingDB Entry DOI: 10.7270/Q2GB2524
					More data for this Ligand-Target Pair

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