Found 84 hits with Last Name = 'malabre' and Initial = 'p' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368929
(CHEMBL610155)Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CC4CC4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C27H31N7O4/c35-21-22(36)27(38-23(21)26(37)32-17-7-8-17)34-14-31-20-24(29-13-30-25(20)34)28-10-9-16-12-33(11-15-5-6-15)19-4-2-1-3-18(16)19/h1-4,12-15,17,21-23,27,35-36H,5-11H2,(H,32,37)(H,28,29,30)/t21-,22+,23-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453502
(CHEMBL2113573)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CCN4CCCC4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H36N8O4/c38-23-24(39)29(41-25(23)28(40)34-19-7-8-19)37-17-33-22-26(31-16-32-27(22)37)30-10-9-18-15-36(14-13-35-11-3-4-12-35)21-6-2-1-5-20(18)21/h1-2,5-6,15-17,19,23-25,29,38-39H,3-4,7-14H2,(H,34,40)(H,30,31,32)/t23-,24+,25-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453499
(CHEMBL2113598)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3c[nH]c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C23H25N7O4/c31-17-18(32)23(34-19(17)22(33)29-13-5-6-13)30-11-28-16-20(26-10-27-21(16)30)24-8-7-12-9-25-15-4-2-1-3-14(12)15/h1-4,9-11,13,17-19,23,25,31-32H,5-8H2,(H,29,33)(H,24,26,27)/t17-,18+,19-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in rat brain membrane |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368937
(CHEMBL609252)Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CCN4CCCCC4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H38N8O4/c39-24-25(40)30(42-26(24)29(41)35-20-8-9-20)38-18-34-23-27(32-17-33-28(23)38)31-11-10-19-16-37(22-7-3-2-6-21(19)22)15-14-36-12-4-1-5-13-36/h2-3,6-7,16-18,20,24-26,30,39-40H,1,4-5,8-15H2,(H,35,41)(H,31,32,33)/t24-,25+,26-,30?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453507
(CHEMBL2113584)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C27H27ClN6O4/c28-18-7-5-16(6-8-18)11-33-12-17(19-3-1-2-4-20(19)33)9-10-29-25-22-26(31-14-30-25)34(15-32-22)27-24(37)23(36)21(13-35)38-27/h1-8,12,14-15,21,23-24,27,35-37H,9-11,13H2,(H,29,30,31)/t21-,23-,24-,27-/m1/s1 | PDB
Reactome pathway
KEGG
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 |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368950
(CHEMBL610442)Show SMILES Cn1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r| Show InChI InChI=1S/C24H27N7O4/c1-30-10-13(15-4-2-3-5-16(15)30)8-9-25-21-17-22(27-11-26-21)31(12-28-17)24-19(33)18(32)20(35-24)23(34)29-14-6-7-14/h2-5,10-12,14,18-20,24,32-33H,6-9H2,1H3,(H,29,34)(H,25,26,27)/t18-,19+,20-,24?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368922
(CHEMBL611311)Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4ccccc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H31N7O4/c38-24-25(39)30(41-26(24)29(40)35-20-10-11-20)37-17-34-23-27(32-16-33-28(23)37)31-13-12-19-15-36(14-18-6-2-1-3-7-18)22-9-5-4-8-21(19)22/h1-9,15-17,20,24-26,30,38-39H,10-14H2,(H,35,40)(H,31,32,33)/t24-,25+,26-,30?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453512
(CHEMBL2113599)Show SMILES COCCn1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r| Show InChI InChI=1S/C26H31N7O5/c1-37-11-10-32-12-15(17-4-2-3-5-18(17)32)8-9-27-23-19-24(29-13-28-23)33(14-30-19)26-21(35)20(34)22(38-26)25(36)31-16-6-7-16/h2-5,12-14,16,20-22,26,34-35H,6-11H2,1H3,(H,31,36)(H,27,28,29)/t20-,21+,22-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211167
(CHEMBL213255 | biphenyl-4-carboxylic acid [3-metho...)Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN1CCCC1 Show InChI InChI=1S/C26H28N2O3/c1-30-25-19-23(13-14-24(25)31-18-17-28-15-5-6-16-28)27-26(29)22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-14,19H,5-6,15-18H2,1H3,(H,27,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453510
(CHEMBL2113586)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccnc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H30N8O4/c38-23-24(39)29(41-25(23)28(40)35-19-7-8-19)37-16-34-22-26(32-15-33-27(22)37)31-11-9-18-14-36(13-17-4-3-10-30-12-17)21-6-2-1-5-20(18)21/h1-6,10,12,14-16,19,23-25,29,38-39H,7-9,11,13H2,(H,35,40)(H,31,32,33)/t23-,24+,25-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453511
(CHEMBL2113587)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccc(c4)[N+]([O-])=O)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H30N8O6/c39-24-25(40)30(44-26(24)29(41)35-19-8-9-19)37-16-34-23-27(32-15-33-28(23)37)31-11-10-18-14-36(22-7-2-1-6-21(18)22)13-17-4-3-5-20(12-17)38(42)43/h1-7,12,14-16,19,24-26,30,39-40H,8-11,13H2,(H,35,41)(H,31,32,33)/t24-,25+,26-,30+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50150715
(4''-Fluoro-biphenyl-4-carboxylic acid (6-dimethyla...)Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(F)cc3)ccc2C1 Show InChI InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368940
(CHEMBL611000)Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(CC=C)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C26H29N7O4/c1-2-11-32-12-15(17-5-3-4-6-18(17)32)9-10-27-23-19-24(29-13-28-23)33(14-30-19)26-21(35)20(34)22(37-26)25(36)31-16-7-8-16/h2-6,12-14,16,20-22,26,34-35H,1,7-11H2,(H,31,36)(H,27,28,29)/t20-,21+,22-,26?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368930
(CHEMBL607875)Show SMILES O[C@@H]1[C@H](O)[C@H](OC1N1CNc2c1ncnc2NCCc1cn(Cc2ccccn2)c2ccccc12)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H32N8O4/c38-23-24(39)29(41-25(23)28(40)35-18-8-9-18)37-16-34-22-26(32-15-33-27(22)37)31-12-10-17-13-36(14-19-5-3-4-11-30-19)21-7-2-1-6-20(17)21/h1-7,11,13,15,18,23-25,29,34,38-39H,8-10,12,14,16H2,(H,35,40)(H,31,32,33)/t23-,24+,25-,29?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368931
(CHEMBL608964)Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H30ClN7O4/c31-19-7-5-17(6-8-19)13-37-14-18(21-3-1-2-4-22(21)37)11-12-32-27-23-28(34-15-33-27)38(16-35-23)30-25(40)24(39)26(42-30)29(41)36-20-9-10-20/h1-8,14-16,20,24-26,30,39-40H,9-13H2,(H,36,41)(H,32,33,34)/t24-,25+,26-,30?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368928
(CHEMBL611600)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4ccccc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C27H28N6O4/c34-14-21-23(35)24(36)27(37-21)33-16-31-22-25(29-15-30-26(22)33)28-11-10-18-13-32(12-17-6-2-1-3-7-17)20-9-5-4-8-19(18)20/h1-9,13,15-16,21,23-24,27,34-36H,10-12,14H2,(H,28,29,30)/t21-,23-,24-,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453500
(CHEMBL2113596)Show SMILES Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3cc(C)ccc23)c1 |r| Show InChI InChI=1S/C33H37N7O4/c1-18-4-6-20(3)22(12-18)15-39-14-21(24-13-19(2)5-9-25(24)39)10-11-34-30-26-31(36-16-35-30)40(17-37-26)33-28(42)27(41)29(44-33)32(43)38-23-7-8-23/h4-6,9,12-14,16-17,23,27-29,33,41-42H,7-8,10-11,15H2,1-3H3,(H,38,43)(H,34,35,36)/t27-,28+,29-,33+/m0/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 |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211174
(CHEMBL246588 | N-(3-methoxy-4-(2-(pyrrolidin-1-yl)...)Show SMILES COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1 Show InChI InChI=1S/C26H28N2O4/c1-30-25-19-21(11-14-24(25)31-18-17-28-15-5-6-16-28)27-26(29)20-9-12-23(13-10-20)32-22-7-3-2-4-8-22/h2-4,7-14,19H,5-6,15-18H2,1H3,(H,27,29) | Reactome pathway
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PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211173
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)Show SMILES COc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1 Show InChI InChI=1S/C26H29N3O4/c1-31-25-19-21(11-14-24(25)32-18-17-29-15-5-6-16-29)28-26(30)27-20-9-12-23(13-10-20)33-22-7-3-2-4-8-22/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,27,28,30) | Reactome pathway
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| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453508
(CHEMBL2113585)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(C4CCCC4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C28H33N7O4/c36-22-23(37)28(39-24(22)27(38)33-17-9-10-17)35-15-32-21-25(30-14-31-26(21)35)29-12-11-16-13-34(18-5-1-2-6-18)20-8-4-3-7-19(16)20/h3-4,7-8,13-15,17-18,22-24,28,36-37H,1-2,5-6,9-12H2,(H,33,38)(H,29,30,31)/t22-,23+,24-,28+/m0/s1 | PDB
Reactome pathway
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453501
(CHEMBL2113597)Show SMILES CC(C)n1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r| Show InChI InChI=1S/C26H31N7O4/c1-14(2)32-11-15(17-5-3-4-6-18(17)32)9-10-27-23-19-24(29-12-28-23)33(13-30-19)26-21(35)20(34)22(37-26)25(36)31-16-7-8-16/h3-6,11-14,16,20-22,26,34-35H,7-10H2,1-2H3,(H,31,36)(H,27,28,29)/t20-,21+,22-,26+/m0/s1 | PDB
Reactome pathway
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368952
(CHEMBL610717)Show SMILES Cc1ccc(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)cc1 |r| Show InChI InChI=1S/C31H33N7O4/c1-18-6-8-19(9-7-18)14-37-15-20(22-4-2-3-5-23(22)37)12-13-32-28-24-29(34-16-33-28)38(17-35-24)31-26(40)25(39)27(42-31)30(41)36-21-10-11-21/h2-9,15-17,21,25-27,31,39-40H,10-14H2,1H3,(H,36,41)(H,32,33,34)/t25-,26+,27-,31?/m0/s1 | PDB
Reactome pathway
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368941
(CHEMBL608369)Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H29Cl2N7O4/c31-20-8-5-16(11-21(20)32)12-38-13-17(19-3-1-2-4-22(19)38)9-10-33-27-23-28(35-14-34-27)39(15-36-23)30-25(41)24(40)26(43-30)29(42)37-18-6-7-18/h1-5,8,11,13-15,18,24-26,30,40-41H,6-7,9-10,12H2,(H,37,42)(H,33,34,35)/t24-,25+,26-,30?/m0/s1 | PDB
Reactome pathway
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368939
(CHEMBL611598)Show SMILES Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)c1 |r| Show InChI InChI=1S/C32H35N7O4/c1-18-7-8-19(2)21(13-18)15-38-14-20(23-5-3-4-6-24(23)38)11-12-33-29-25-30(35-16-34-29)39(17-36-25)32-27(41)26(40)28(43-32)31(42)37-22-9-10-22/h3-8,13-14,16-17,22,26-28,32,40-41H,9-12,15H2,1-2H3,(H,37,42)(H,33,34,35)/t26-,27+,28-,32?/m0/s1 | PDB
Reactome pathway
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453505
(CHEMBL2113589)Show SMILES Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C32H34ClN7O4/c1-17-3-4-18(2)20(11-17)14-39-13-19(23-12-21(33)5-8-24(23)39)9-10-34-29-25-30(36-15-35-29)40(16-37-25)32-27(42)26(41)28(44-32)31(43)38-22-6-7-22/h3-5,8,11-13,15-16,22,26-28,32,41-42H,6-7,9-10,14H2,1-2H3,(H,38,43)(H,34,35,36)/t26-,27+,28-,32+/m0/s1 | PDB
Reactome pathway
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368943
(CHEMBL609554)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4cc(C)ccc4C)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C31H35N7O4/c1-4-32-30(41)27-25(39)26(40)31(42-27)38-17-36-24-28(34-16-35-29(24)38)33-12-11-20-14-37(23-8-6-5-7-22(20)23)15-21-13-18(2)9-10-19(21)3/h5-10,13-14,16-17,25-27,31,39-40H,4,11-12,15H2,1-3H3,(H,32,41)(H,33,34,35)/t25-,26+,27-,31?/m0/s1 | PDB
Reactome pathway
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368951
(CHEMBL611599)Show SMILES Cc1ccc(Cn2cc(CCNc3ncnc4n(cnc34)C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c3ccccc23)cc1C |r| Show InChI InChI=1S/C32H35N7O4/c1-18-7-8-20(13-19(18)2)14-38-15-21(23-5-3-4-6-24(23)38)11-12-33-29-25-30(35-16-34-29)39(17-36-25)32-27(41)26(40)28(43-32)31(42)37-22-9-10-22/h3-8,13,15-17,22,26-28,32,40-41H,9-12,14H2,1-2H3,(H,37,42)(H,33,34,35)/t26-,27+,28-,32?/m0/s1 | PDB
Reactome pathway
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211166
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3 | Reactome pathway
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| 164 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368953
(CHEMBL608962)Show SMILES CN(C)c1ccccc1Cn1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r| Show InChI InChI=1S/C32H36N8O4/c1-38(2)23-9-5-3-7-20(23)16-39-15-19(22-8-4-6-10-24(22)39)13-14-33-29-25-30(35-17-34-29)40(18-36-25)32-27(42)26(41)28(44-32)31(43)37-21-11-12-21/h3-10,15,17-18,21,26-28,32,41-42H,11-14,16H2,1-2H3,(H,37,43)(H,33,34,35)/t26-,27+,28-,32?/m0/s1 | PDB
Reactome pathway
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| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368947
(CHEMBL610724)Show SMILES COc1ccccc1Cn1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12 |r| Show InChI InChI=1S/C31H33N7O5/c1-42-23-9-5-2-6-19(23)15-37-14-18(21-7-3-4-8-22(21)37)12-13-32-28-24-29(34-16-33-28)38(17-35-24)31-26(40)25(39)27(43-31)30(41)36-20-10-11-20/h2-9,14,16-17,20,25-27,31,39-40H,10-13,15H2,1H3,(H,36,41)(H,32,33,34)/t25-,26+,27-,31?/m0/s1 | PDB
Reactome pathway
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| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211160
((Z)-5-(4-((3-hydroxypyrrolidin-1-yl)methyl)benzyli...)Show SMILES OC1CCN(Cc2ccc(\C=C3/NC(=O)N(C3=O)c3ccc(Oc4ccccc4)cc3)cc2)C1 |w:1.0| Show InChI InChI=1S/C27H25N3O4/c31-22-14-15-29(18-22)17-20-8-6-19(7-9-20)16-25-26(32)30(27(33)28-25)21-10-12-24(13-11-21)34-23-4-2-1-3-5-23/h1-13,16,22,31H,14-15,17-18H2,(H,28,33)/b25-16- | Reactome pathway
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| 176 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368927
(CHEMBL609555)Show SMILES CC(Cc1cn(Cc2cc(C)ccc2C)c2ccccc12)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C33H37N7O4/c1-18-8-9-19(2)21(12-18)14-39-15-22(24-6-4-5-7-25(24)39)13-20(3)37-30-26-31(35-16-34-30)40(17-36-26)33-28(42)27(41)29(44-33)32(43)38-23-10-11-23/h4-9,12,15-17,20,23,27-29,33,41-42H,10-11,13-14H2,1-3H3,(H,38,43)(H,34,35,37)/t20?,27-,28+,29-,33?/m0/s1 | PDB
Reactome pathway
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| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453504
(CHEMBL2113591)Show SMILES CC(CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1)c1cn(Cc2cc(C)ccc2C)c2ccccc12 |r| Show InChI InChI=1S/C33H37N7O4/c1-18-8-9-19(2)21(12-18)14-39-15-24(23-6-4-5-7-25(23)39)20(3)13-34-30-26-31(36-16-35-30)40(17-37-26)33-28(42)27(41)29(44-33)32(43)38-22-10-11-22/h4-9,12,15-17,20,22,27-29,33,41-42H,10-11,13-14H2,1-3H3,(H,38,43)(H,34,35,36)/t20?,27-,28+,29-,33+/m0/s1 | PDB
Reactome pathway
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211164
((Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-...)Show SMILES O=C1N\C(=C/c2ccc(CN3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H25N3O3/c31-26-25(18-20-8-10-21(11-9-20)19-29-16-4-5-17-29)28-27(32)30(26)22-12-14-24(15-13-22)33-23-6-2-1-3-7-23/h1-3,6-15,18H,4-5,16-17,19H2,(H,28,32)/b25-18- | Reactome pathway
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PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211172
(1-biphenyl-4-yl-3-[3-methoxy-4-(2-pyrrolidin-1-yl-...)Show SMILES COc1cc(NC(=O)Nc2ccc(cc2)-c2ccccc2)ccc1OCCN1CCCC1 Show InChI InChI=1S/C26H29N3O3/c1-31-25-19-23(13-14-24(25)32-18-17-29-15-5-6-16-29)28-26(30)27-22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,27,28,30) | Reactome pathway
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PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50211166
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3 | PDB
MMDB
Reactome pathway
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2A receptor |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211176
((Z)-5-(4-((dimethylamino)methyl)benzylidene)-3-(4-...)Show SMILES CN(C)Cc1ccc(\C=C2/NC(=O)N(C2=O)c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C25H23N3O3/c1-27(2)17-19-10-8-18(9-11-19)16-23-24(29)28(25(30)26-23)20-12-14-22(15-13-20)31-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,30)/b23-16- | Reactome pathway
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| 341 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211168
((Z)-5-(4-(azepan-1-ylmethyl)benzylidene)-3-(4-phen...)Show SMILES O=C1N\C(=C/c2ccc(CN3CCCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H29N3O3/c33-28-27(20-22-10-12-23(13-11-22)21-31-18-6-1-2-7-19-31)30-29(34)32(28)24-14-16-26(17-15-24)35-25-8-4-3-5-9-25/h3-5,8-17,20H,1-2,6-7,18-19,21H2,(H,30,34)/b27-20- | Reactome pathway
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| 357 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211170
(3-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1c(O)cn(-c2ccc(Oc3ccccc3)cc2)c1=O Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)31-27(32)20-30(28(31)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3 | Reactome pathway
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| 365 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453498
(CHEMBL2113594)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(Cc4cccc5ccccc45)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C34H33N7O4/c42-28-29(43)34(45-30(28)33(44)39-23-12-13-23)41-19-38-27-31(36-18-37-32(27)41)35-15-14-22-17-40(26-11-4-3-10-25(22)26)16-21-8-5-7-20-6-1-2-9-24(20)21/h1-11,17-19,23,28-30,34,42-43H,12-16H2,(H,39,44)(H,35,36,37)/t28-,29+,30-,34+/m0/s1 | PDB
Reactome pathway
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| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in rat brain membrane |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50211166
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3 | UniProtKB/SwissProt
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| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211161
(3-biphenyl-4-yl-1-[3-methoxy-4-(2-pyrrolidin-1-yl-...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(cc2)-c2ccccc2)c1=O Show InChI InChI=1S/C28H29N3O4/c1-34-26-19-24(13-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3 | Reactome pathway
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| 415 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453509
(CHEMBL2113603)Show SMILES Cc1ccc(C)c(Cn2cc(CCNc3ncnc4n(cnc34)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c3ccccc23)c1 |r| Show InChI InChI=1S/C29H31N7O4/c1-16-7-8-17(2)19(11-16)13-35-12-18(20-5-3-4-6-21(20)35)9-10-31-27-22-28(33-14-32-27)36(15-34-22)29-24(38)23(37)25(40-29)26(30)39/h3-8,11-12,14-15,23-25,29,37-38H,9-10,13H2,1-2H3,(H2,30,39)(H,31,32,33)/t23-,24+,25-,29+/m0/s1 | PDB
Reactome pathway
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| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211171
((Z)-5-(4-((2-(dimethylamino)ethylamino)methyl)benz...)Show SMILES CN(C)CCNCc1ccc(\C=C2/NC(=O)N(C2=O)c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H28N4O3/c1-30(2)17-16-28-19-21-10-8-20(9-11-21)18-25-26(32)31(27(33)29-25)22-12-14-24(15-13-22)34-23-6-4-3-5-7-23/h3-15,18,28H,16-17,19H2,1-2H3,(H,29,33)/b25-18- | Reactome pathway
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| 707 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50211166
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3 | PDB
Reactome pathway
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| 880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453513
(CHEMBL2113579)Show SMILES COCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H32ClN7O5/c1-42-13-12-33-29(41)26-24(39)25(40)30(43-26)38-17-36-23-27(34-16-35-28(23)38)32-11-10-19-15-37(22-5-3-2-4-21(19)22)14-18-6-8-20(31)9-7-18/h2-9,15-17,24-26,30,39-40H,10-14H2,1H3,(H,33,41)(H,32,34,35)/t24-,25+,26-,30+/m0/s1 | PDB
Reactome pathway
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| 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453503
(CHEMBL2113590)Show SMILES Cc1c(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc2n1C1CCCC1 |r| Show InChI InChI=1S/C29H35N7O4/c1-16-19(20-8-4-5-9-21(20)36(16)18-6-2-3-7-18)12-13-30-26-22-27(32-14-31-26)35(15-33-22)29-24(38)23(37)25(40-29)28(39)34-17-10-11-17/h4-5,8-9,14-15,17-18,23-25,29,37-38H,2-3,6-7,10-13H2,1H3,(H,34,39)(H,30,31,32)/t23-,24+,25-,29+/m0/s1 | PDB
Reactome pathway
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| 895 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211169
(CHEMBL394311 | N-(3-methoxy-4-(2-(pyrrolidin-1-yl)...)Show SMILES COc1cc(Nc2nc(cs2)-c2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1 Show InChI InChI=1S/C28H29N3O3S/c1-32-27-19-22(11-14-26(27)33-18-17-31-15-5-6-16-31)29-28-30-25(20-35-28)21-9-12-24(13-10-21)34-23-7-3-2-4-8-23/h2-4,7-14,19-20H,5-6,15-18H2,1H3,(H,29,30) | Reactome pathway
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50211163
(1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)Show SMILES COc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1 Show InChI InChI=1S/C26H29N3O3S/c1-30-25-19-21(11-14-24(25)31-18-17-29-15-5-6-16-29)28-26(33)27-20-9-12-23(13-10-20)32-22-7-3-2-4-8-22/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,27,28,33) | Reactome pathway
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| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells |
Bioorg Med Chem Lett 17: 3754-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.012
BindingDB Entry DOI: 10.7270/Q26D5SP0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453506
(CHEMBL2113583)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cn(Cc4cc(C)ccc4C)c4ccccc34)ncnc12 |r| Show InChI InChI=1S/C30H33N7O4/c1-17-8-9-18(2)20(12-17)14-36-13-19(21-6-4-5-7-22(21)36)10-11-32-27-23-28(34-15-33-27)37(16-35-23)30-25(39)24(38)26(41-30)29(40)31-3/h4-9,12-13,15-16,24-26,30,38-39H,10-11,14H2,1-3H3,(H,31,40)(H,32,33,34)/t24-,25+,26-,30+/m0/s1 | PDB
Reactome pathway
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Similars
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Carpibem
Curated by ChEMBL
| Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes. |
J Med Chem 37: 4307-16 (1995)
BindingDB Entry DOI: 10.7270/Q2J38T68 |
More data for this
Ligand-Target Pair | |
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