Found 481 hits with Last Name = 'linusson' and Initial = 'a' 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 |
|---|
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50585934
(CHEMBL5082824)Show SMILES CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of human recombinant MAO-B expressed in supersomes using kynuramine as substrate by Lineweaver-Burk plot analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50585934
(CHEMBL5082824)Show SMILES CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Mixed type inhibition of human AChE by Lineweaver-Burk plot analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214034
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(t...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc2c1 Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-12-19(26-2)6-7-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214034
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(t...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc2c1 Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-12-19(26-2)6-7-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214024
((1S,3S)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-(t...)Show SMILES COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)cc(C)c2c1 Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-7-6-19(26-2)12-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214036
((1S,3S)-N1-((5-(difluoromethoxy)-1-methyl-1H-indol...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OC(F)F)cc34)nc2c1 Show InChI InChI=1S/C27H30F2N4O2/c1-16-10-26(32-24-13-20(34-3)6-8-22(16)24)31-19-5-4-18(11-19)30-14-17-15-33(2)25-9-7-21(12-23(17)25)35-27(28)29/h6-10,12-13,15,18-19,27,30H,4-5,11,14H2,1-3H3,(H,31,32)/t18-,19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214037
((1S,3S)-N1-(4-methylquinolin-2-yl)-N3-(thiophen-3-...)Show SMILES Cc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C21H25N3S/c1-15-11-21(24-20-8-3-2-7-19(15)20)23-18-6-4-5-17(12-18)22-13-16-9-10-25-14-16/h2-3,7-11,14,17-18,22H,4-6,12-13H2,1H3,(H,23,24)/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214052
((1S,3S)-N1-(4-methoxyquinolin-2-yl)-N3-(thiophen-3...)Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C21H25N3OS/c1-25-20-12-21(24-19-8-3-2-7-18(19)20)23-17-6-4-5-16(11-17)22-13-15-9-10-26-14-15/h2-3,7-10,12,14,16-17,22H,4-6,11,13H2,1H3,(H,23,24)/t16-,17-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50585934
(CHEMBL5082824)Show SMILES CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214035
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccccc34)nc2c1 Show InChI InChI=1S/C26H30N4O/c1-17-12-26(29-24-14-21(31-3)10-11-22(17)24)28-20-9-8-19(13-20)27-15-18-16-30(2)25-7-5-4-6-23(18)25/h4-7,10-12,14,16,19-20,27H,8-9,13,15H2,1-3H3,(H,28,29)/t19-,20-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214052
((1S,3S)-N1-(4-methoxyquinolin-2-yl)-N3-(thiophen-3...)Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C21H25N3OS/c1-25-20-12-21(24-19-8-3-2-7-18(19)20)23-17-6-4-5-16(11-17)22-13-15-9-10-26-14-15/h2-3,7-10,12,14,16-17,22H,4-6,11,13H2,1H3,(H,23,24)/t16-,17-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50585930
(CHEMBL3586771)Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50585935
(CHEMBL5090153)Show SMILES CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(F)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214050
((1S,3S)-N1-(benzo[c][1,2,5]thiadiazol-4-ylmethyl)-...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cccc4nsnc34)nc2c1 Show InChI InChI=1S/C24H27N5OS/c1-15-11-23(27-22-13-19(30-2)9-10-20(15)22)26-18-7-4-6-17(12-18)25-14-16-5-3-8-21-24(16)29-31-28-21/h3,5,8-11,13,17-18,25H,4,6-7,12,14H2,1-2H3,(H,26,27)/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50585923
(CHEMBL5083014)Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4cccc(F)c4)C3)ccc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214030
((1S,3S)-N1-(3,4-dichlorobenzyl)-N3-(7-methoxy-4-me...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccc(Cl)c(Cl)c3)nc2c1 Show InChI InChI=1S/C24H27Cl2N3O/c1-15-10-24(29-23-13-19(30-2)7-8-20(15)23)28-18-5-3-4-17(12-18)27-14-16-6-9-21(25)22(26)11-16/h6-11,13,17-18,27H,3-5,12,14H2,1-2H3,(H,28,29)/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214046
((1S,3S)-N1-(3-(trifluoromethoxy)benzyl)-N3-(7-meth...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cccc(OC(F)(F)F)c3)nc2c1 Show InChI InChI=1S/C25H28F3N3O2/c1-16-11-24(31-23-14-20(32-2)9-10-22(16)23)30-19-7-4-6-18(13-19)29-15-17-5-3-8-21(12-17)33-25(26,27)28/h3,5,8-12,14,18-19,29H,4,6-7,13,15H2,1-2H3,(H,30,31)/t18-,19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214068
(6-methoxy-4-methyl-N-(3-(thiophen-3-ylmethylamino)...)Show InChI InChI=1S/C19H23N3OS/c1-14-10-19(22-18-5-4-16(23-2)11-17(14)18)21-8-3-7-20-12-15-6-9-24-13-15/h4-6,9-11,13,20H,3,7-8,12H2,1-2H3,(H,21,22) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214061
((1S,3S)-N1-(benzo[c][1,2,5]thiadiazol-5-ylmethyl)-...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccc4nsnc4c3)nc2c1 Show InChI InChI=1S/C24H27N5OS/c1-15-10-24(27-22-13-19(30-2)7-8-20(15)22)26-18-5-3-4-17(12-18)25-14-16-6-9-21-23(11-16)29-31-28-21/h6-11,13,17-18,25H,3-5,12,14H2,1-2H3,(H,26,27)/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM19187
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214047
(3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamin...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4c(cccc34)C#N)nc2c1 Show InChI InChI=1S/C27H29N5O/c1-17-11-26(31-25-13-22(33-3)9-10-23(17)25)30-21-8-7-20(12-21)29-15-19-16-32(2)27-18(14-28)5-4-6-24(19)27/h4-6,9-11,13,16,20-21,29H,7-8,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1 | Reactome pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214032
((1S,3S)-N1-(isoquinolin-4-ylmethyl)-N3-(7-methoxy-...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cncc4ccccc34)nc2c1 Show InChI InChI=1S/C27H30N4O/c1-18-12-27(31-26-14-23(32-2)10-11-24(18)26)30-22-8-5-7-21(13-22)29-17-20-16-28-15-19-6-3-4-9-25(19)20/h3-4,6,9-12,14-16,21-22,29H,5,7-8,13,17H2,1-2H3,(H,30,31)/t21-,22-/m0/s1 | Reactome pathway
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8960
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant AChE by Ellman's spectrophotometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50422375
(CHEMBL116616)Show SMILES CCc1cc(OCCc2ccc(cc2)C(N)=N)cc(OS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C23H24N2O4S/c1-2-17-14-20(28-13-12-18-8-10-19(11-9-18)23(24)25)16-21(15-17)29-30(26,27)22-6-4-3-5-7-22/h3-11,14-16H,2,12-13H2,1H3,(H3,24,25) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant CYP3A4 expressed in baculosomes by fluorescent homogenous assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214053
((1S,3S)-N1-(6-methoxyquinolin-2-yl)-N3-(thiophen-3...)Show SMILES COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)ccc2c1 Show InChI InChI=1S/C21H25N3OS/c1-25-19-6-7-20-16(11-19)5-8-21(24-20)23-18-4-2-3-17(12-18)22-13-15-9-10-26-14-15/h5-11,14,17-18,22H,2-4,12-13H2,1H3,(H,23,24)/t17-,18-/m0/s1 | Reactome pathway
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Mus musculus (mouse)) | BDBM55727
(2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...)Show SMILES Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25) | PDB
MMDB
Reactome pathway
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Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay |
J Med Chem 59: 9409-9421 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00967
BindingDB Entry DOI: 10.7270/Q2HM5BFB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214049
((1S,3S)-N1-(6-fluoro-4-methoxyquinolin-2-yl)-N3-(t...)Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccc(F)cc12 Show InChI InChI=1S/C21H24FN3OS/c1-26-20-11-21(25-19-6-5-15(22)9-18(19)20)24-17-4-2-3-16(10-17)23-12-14-7-8-27-13-14/h5-9,11,13,16-17,23H,2-4,10,12H2,1H3,(H,24,25)/t16-,17-/m0/s1 | Reactome pathway
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214048
((1S,3S)-N1-(2-bromo-5-methoxybenzyl)-N3-(7-methoxy...)Show SMILES COc1ccc(Br)c(CN[C@H]2CCC[C@@H](C2)Nc2cc(C)c3ccc(OC)cc3n2)c1 Show InChI InChI=1S/C25H30BrN3O2/c1-16-11-25(29-24-14-21(31-3)7-9-22(16)24)28-19-6-4-5-18(13-19)27-15-17-12-20(30-2)8-10-23(17)26/h7-12,14,18-19,27H,4-6,13,15H2,1-3H3,(H,28,29)/t18-,19-/m0/s1 | Reactome pathway
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214055
(CHEMBL399244 | N4,N4-dimethyl-N2-((1S,3S)-3-(thiop...)Show SMILES CN(C)c1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C22H28N4S/c1-26(2)21-13-22(25-20-9-4-3-8-19(20)21)24-18-7-5-6-17(12-18)23-14-16-10-11-27-15-16/h3-4,8-11,13,15,17-18,23H,5-7,12,14H2,1-2H3,(H,24,25)/t17-,18-/m0/s1 | Reactome pathway
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214066
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4cccnc34)nc2c1 Show InChI InChI=1S/C25H29N5O/c1-16-11-24(29-22-13-20(31-3)8-9-21(16)22)28-19-7-6-18(12-19)27-14-17-15-30(2)23-5-4-10-26-25(17)23/h4-5,8-11,13,15,18-19,27H,6-7,12,14H2,1-3H3,(H,28,29)/t18-,19-/m0/s1 | Reactome pathway
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50532731
(CHEMBL4571763)Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12 Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM55727
(2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...)Show SMILES Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
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| PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay |
J Med Chem 59: 9409-9421 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00967
BindingDB Entry DOI: 10.7270/Q2HM5BFB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214044
(3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamin...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4cc(ccc34)C#N)nc2c1 Show InChI InChI=1S/C27H29N5O/c1-17-10-27(31-25-13-22(33-3)7-9-23(17)25)30-21-6-5-20(12-21)29-15-19-16-32(2)26-11-18(14-28)4-8-24(19)26/h4,7-11,13,16,20-21,29H,5-6,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1 | Reactome pathway
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214036
((1S,3S)-N1-((5-(difluoromethoxy)-1-methyl-1H-indol...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OC(F)F)cc34)nc2c1 Show InChI InChI=1S/C27H30F2N4O2/c1-16-10-26(32-24-13-20(34-3)6-8-22(16)24)31-19-5-4-18(11-19)30-14-17-15-33(2)25-9-7-21(12-23(17)25)35-27(28)29/h6-10,12-13,15,18-19,27,30H,4-5,11,14H2,1-3H3,(H,31,32)/t18-,19-/m0/s1 | Reactome pathway
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214045
((1S,2S,4R,6S)-N2-(6-methoxy-4-methylquinolin-2-yl)...)Show SMILES COc1ccc2nc(N[C@H]3C[C@H]4C[C@H](NCc5ccsc5)[C@@H]3C4)cc(C)c2c1 Show InChI InChI=1S/C23H27N3OS/c1-14-7-23(25-20-4-3-17(27-2)11-18(14)20)26-22-10-16-8-19(22)21(9-16)24-12-15-5-6-28-13-15/h3-7,11,13,16,19,21-22,24H,8-10,12H2,1-2H3,(H,25,26)/t16-,19+,21+,22+/m1/s1 | Reactome pathway
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214041
(3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamin...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(cc34)C#N)nc2c1 Show InChI InChI=1S/C27H29N5O/c1-17-10-27(31-25-13-22(33-3)7-8-23(17)25)30-21-6-5-20(12-21)29-15-19-16-32(2)26-9-4-18(14-28)11-24(19)26/h4,7-11,13,16,20-21,29H,5-6,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1 | Reactome pathway
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214023
((1S,3S)-N1-(5-methoxyquinolin-2-yl)-N3-(thiophen-3...)Show SMILES COc1cccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)ccc12 Show InChI InChI=1S/C21H25N3OS/c1-25-20-7-3-6-19-18(20)8-9-21(24-19)23-17-5-2-4-16(12-17)22-13-15-10-11-26-14-15/h3,6-11,14,16-17,22H,2,4-5,12-13H2,1H3,(H,23,24)/t16-,17-/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214021
((1S,3S)-N1-(2-chloro-4-(methylsulfonyl)benzyl)-N3-...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccc(cc3Cl)S(C)(=O)=O)nc2c1 Show InChI InChI=1S/C25H30ClN3O3S/c1-16-11-25(29-24-13-20(32-2)8-10-22(16)24)28-19-6-4-5-18(12-19)27-15-17-7-9-21(14-23(17)26)33(3,30)31/h7-11,13-14,18-19,27H,4-6,12,15H2,1-3H3,(H,28,29)/t18-,19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214023
((1S,3S)-N1-(5-methoxyquinolin-2-yl)-N3-(thiophen-3...)Show SMILES COc1cccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)ccc12 Show InChI InChI=1S/C21H25N3OS/c1-25-20-7-3-6-19-18(20)8-9-21(24-19)23-17-5-2-4-16(12-17)22-13-15-10-11-26-14-15/h3,6-11,14,16-17,22H,2,4-5,12-13H2,1H3,(H,23,24)/t16-,17-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422376
(CHEMBL116149)Show SMILES COc1c(Cl)cc(Cl)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C22H20Cl2N2O5S/c1-29-21-19(24)11-16(23)12-20(21)32(27,28)31-18-4-2-3-17(13-18)30-10-9-14-5-7-15(8-6-14)22(25)26/h2-8,11-13H,9-10H2,1H3,(H3,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214053
((1S,3S)-N1-(6-methoxyquinolin-2-yl)-N3-(thiophen-3...)Show SMILES COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)ccc2c1 Show InChI InChI=1S/C21H25N3OS/c1-25-19-6-7-20-16(11-19)5-8-21(24-20)23-18-4-2-3-17(12-18)22-13-15-9-10-26-14-15/h5-11,14,17-18,22H,2-4,12-13H2,1H3,(H,23,24)/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
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PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214038
(5-chloro-3-(((1S,3S)-3-(7-methoxy-4-methylquinolin...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cn(C(=O)N(C)C)c4ccc(Cl)cc34)nc2c1 Show InChI InChI=1S/C29H34ClN5O2/c1-18-12-28(33-26-15-23(37-4)9-10-24(18)26)32-22-7-5-6-21(14-22)31-16-19-17-35(29(36)34(2)3)27-11-8-20(30)13-25(19)27/h8-13,15,17,21-22,31H,5-7,14,16H2,1-4H3,(H,32,33)/t21-,22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214037
((1S,3S)-N1-(4-methylquinolin-2-yl)-N3-(thiophen-3-...)Show SMILES Cc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C21H25N3S/c1-15-11-21(24-20-8-3-2-7-19(15)20)23-18-6-4-5-17(12-18)22-13-16-9-10-25-14-16/h2-3,7-11,14,17-18,22H,4-6,12-13H2,1H3,(H,23,24)/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214039
((1S,3S)-N1-((5-bromo-1-methyl-1H-indol-3-yl)methyl...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cn(C)c4ccc(Br)cc34)nc2c1 Show InChI InChI=1S/C27H31BrN4O/c1-17-11-27(31-25-14-22(33-3)8-9-23(17)25)30-21-6-4-5-20(13-21)29-15-18-16-32(2)26-10-7-19(28)12-24(18)26/h7-12,14,16,20-21,29H,4-6,13,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214040
((1S,3S)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-(t...)Show SMILES COc1ccc2nc(N[C@H]3CC[C@@H](C3)NCc3ccsc3)cc(C)c2c1 Show InChI InChI=1S/C21H25N3OS/c1-14-9-21(24-20-6-5-18(25-2)11-19(14)20)23-17-4-3-16(10-17)22-12-15-7-8-26-13-15/h5-9,11,13,16-17,22H,3-4,10,12H2,1-2H3,(H,23,24)/t16-,17-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
Similars
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PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214025
((1S,3S)-N1-(quinolin-2-yl)-N3-(thiophen-3-ylmethyl...)Show SMILES C(N[C@H]1CCC[C@@H](C1)Nc1ccc2ccccc2n1)c1ccsc1 Show InChI InChI=1S/C20H23N3S/c1-2-7-19-16(4-1)8-9-20(23-19)22-18-6-3-5-17(12-18)21-13-15-10-11-24-14-15/h1-2,4,7-11,14,17-18,21H,3,5-6,12-13H2,(H,22,23)/t17-,18-/m0/s1 | Reactome pathway
KEGG
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214057
((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4c3ccc3cccnc43)nc2c1 Show InChI InChI=1S/C29H31N5O/c1-18-13-27(33-26-15-23(35-3)9-11-24(18)26)32-22-8-7-21(14-22)31-16-20-17-34(2)29-25(20)10-6-19-5-4-12-30-28(19)29/h4-6,9-13,15,17,21-22,31H,7-8,14,16H2,1-3H3,(H,32,33)/t21-,22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50585927
(CHEMBL5081663)Show SMILES CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(F)c1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50214065
((1S,3S)-N1-((5-(benzyloxy)-1-methyl-1H-indol-3-yl)...)Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OCc5ccccc5)cc34)nc2c1 Show InChI InChI=1S/C33H36N4O2/c1-22-15-33(36-31-18-27(38-3)11-13-29(22)31)35-26-10-9-25(16-26)34-19-24-20-37(2)32-14-12-28(17-30(24)32)39-21-23-7-5-4-6-8-23/h4-8,11-15,17-18,20,25-26,34H,9-10,16,19,21H2,1-3H3,(H,35,36)/t25-,26-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
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PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Mölndal
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 4232-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC |
More data for this
Ligand-Target Pair | |
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