Found 286 hits with Last Name = 'guzik' and Initial = 'h' 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 |
|---|
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092989
(1-[1-(4-Benzenesulfonyl-phenyl)-ethyl]-4-cyclohexy...)Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H32N2O2S/c1-20(25-16-18-26(19-17-25)22-8-4-2-5-9-22)21-12-14-24(15-13-21)29(27,28)23-10-6-3-7-11-23/h3,6-7,10-15,20,22H,2,4-5,8-9,16-19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement. |
Bioorg Med Chem Lett 2: 399-402 (1992)
Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092984
(1-{1-[4-(4-Chloro-benzenesulfonyl)-phenyl]-ethyl}-...)Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H31ClN2O2S/c1-19(26-15-17-27(18-16-26)22-5-3-2-4-6-22)20-7-11-23(12-8-20)30(28,29)24-13-9-21(25)10-14-24/h7-14,19,22H,2-6,15-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092996
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C25H34N2O3S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)31(28,29)25-14-10-23(30-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092995
(1-Cyclohexyl-4-{1-[4-(toluene-4-sulfonyl)-phenyl]-...)Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C25H34N2O2S/c1-20-8-12-24(13-9-20)30(28,29)25-14-10-22(11-15-25)21(2)26-16-18-27(19-17-26)23-6-4-3-5-7-23/h8-15,21,23H,3-7,16-19H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092319
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092989
(1-[1-(4-Benzenesulfonyl-phenyl)-ethyl]-4-cyclohexy...)Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H32N2O2S/c1-20(25-16-18-26(19-17-25)22-8-4-2-5-9-22)21-12-14-24(15-13-21)29(27,28)23-10-6-3-7-11-23/h3,6-7,10-15,20,22H,2,4-5,8-9,16-19H2,1H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184944
(CHEMBL382668 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)Show SMILES Fc1ccc(NC(=O)N(CCCCN2CCCCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1C(F)(F)F Show InChI InChI=1S/C30H34F4N4O/c31-26-10-9-23(18-24(26)30(32,33)34)36-28(39)38(16-5-4-15-37-13-2-1-3-14-37)27-11-12-29(19-25(27)29)22-8-6-7-21(17-22)20-35/h6-10,17-18,25,27H,1-5,11-16,19H2,(H,36,39)/t25-,27-,29-/m1/s1 | Reactome pathway
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| CHEMBL
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184925
(CHEMBL380509 | N-[trans-5-(4-fluorophenyl)bicyclo[...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)cc2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C28H33F5N4O/c1-35-13-15-36(16-14-35)11-2-12-37(26(38)34-21-7-8-24(30)22(17-21)28(31,32)33)25-9-10-27(18-23(25)27)19-3-5-20(29)6-4-19/h3-8,17,23,25H,2,9-16,18H2,1H3,(H,34,38)/t23-,25-,27-/m1/s1 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184935
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccnc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C26H33ClFN5O/c1-31-12-14-32(15-13-31)10-3-11-33(25(34)30-20-5-6-23(28)22(27)16-20)24-7-8-26(17-21(24)26)19-4-2-9-29-18-19/h2,4-6,9,16,18,21,24H,3,7-8,10-15,17H2,1H3,(H,30,34)/t21-,24-,26-/m1/s1 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184935
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccnc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C26H33ClFN5O/c1-31-12-14-32(15-13-31)10-3-11-33(25(34)30-20-5-6-23(28)22(27)16-20)24-7-8-26(17-21(24)26)19-4-2-9-29-18-19/h2,4-6,9,16,18,21,24H,3,7-8,10-15,17H2,1H3,(H,30,34)/t21-,24-,26-/m1/s1 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50280440
(8-Chloro-5-cyclohex-2-enyl-3-methyl-2,3,4,5-tetrah...)Show InChI InChI=1S/C17H22ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h3,5,9-10,12,15,20H,2,4,6-8,11H2,1H3 | PDB
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement. |
Bioorg Med Chem Lett 2: 399-402 (1992)
Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50280435
(8-Chloro-5-cyclohex-1-enyl-3-methyl-2,3,4,5-tetrah...)Show InChI InChI=1S/C17H22ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h5,9-10,15,20H,2-4,6-8,11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement. |
Bioorg Med Chem Lett 2: 399-402 (1992)
Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184928
(CHEMBL382140 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)Show SMILES CN1CCN(CCCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H35F4N5O/c1-37-13-15-38(16-14-37)11-2-3-12-39(28(40)36-23-7-8-26(31)24(18-23)30(32,33)34)27-9-10-29(19-25(27)29)22-6-4-5-21(17-22)20-35/h4-8,17-18,25,27H,2-3,9-16,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/s1 | Reactome pathway
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| CHEMBL
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| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184948
(CHEMBL206616 | N-[trans-5-(3-fluorophenyl)bicyclo[...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(F)c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C28H33F5N4O/c1-35-12-14-36(15-13-35)10-3-11-37(26(38)34-21-6-7-24(30)22(17-21)28(31,32)33)25-8-9-27(18-23(25)27)19-4-2-5-20(29)16-19/h2,4-7,16-17,23,25H,3,8-15,18H2,1H3,(H,34,38)/t23-,25-,27-/m1/s1 | Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184923
(1-((1S,2R,5S)-5-(3-acetamidophenyl)bicyclo[3.1.0]h...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(NC(C)=O)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C29H37ClFN5O2/c1-20(37)32-22-6-3-5-21(17-22)29-10-9-27(24(29)19-29)36(12-4-11-35-15-13-34(2)14-16-35)28(38)33-23-7-8-26(31)25(30)18-23/h3,5-8,17-18,24,27H,4,9-16,19H2,1-2H3,(H,32,37)(H,33,38)/t24-,27-,29-/m1/s1 | Reactome pathway
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| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184919
(CHEMBL208025 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)Show SMILES Fc1ccc(NC(=O)N(CCCCN2CCOCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1C(F)(F)F Show InChI InChI=1S/C29H32F4N4O2/c30-25-7-6-22(17-23(25)29(31,32)33)35-27(38)37(11-2-1-10-36-12-14-39-15-13-36)26-8-9-28(18-24(26)28)21-5-3-4-20(16-21)19-34/h3-7,16-17,24,26H,1-2,8-15,18H2,(H,35,38)/t24-,26-,28-/m1/s1 | Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184923
(1-((1S,2R,5S)-5-(3-acetamidophenyl)bicyclo[3.1.0]h...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(NC(C)=O)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C29H37ClFN5O2/c1-20(37)32-22-6-3-5-21(17-22)29-10-9-27(24(29)19-29)36(12-4-11-35-15-13-34(2)14-16-35)28(38)33-23-7-8-26(31)25(30)18-23/h3,5-8,17-18,24,27H,4,9-16,19H2,1-2H3,(H,32,37)(H,33,38)/t24-,27-,29-/m1/s1 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188320
(3-(3-chloro-4-fluorophenyl)-1-((1S,2R,5S)-5-(4-flu...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H33ClF2N4O/c1-32-13-15-33(16-14-32)11-2-12-34(26(35)31-21-7-8-24(30)23(28)17-21)25-9-10-27(18-22(25)27)19-3-5-20(29)6-4-19/h3-8,17,22,25H,2,9-16,18H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1 | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50164246
(1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex...)Show SMILES CN1CCN(CCCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H35F4N5O/c1-37-14-16-38(17-15-37)12-2-3-13-39(28(40)36-23-8-9-26(31)24(18-23)30(32,33)34)27-10-11-29(19-25(27)29)22-6-4-21(20-35)5-7-22/h4-9,18,25,27H,2-3,10-17,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/s1 | Reactome pathway
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition constant for human Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50451110
(CHEMBL2111540)Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r| Show InChI InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/m0/s1 | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188334
(3-(3-chloro-4-fluorophenyl)-1-((1S,2R,5S)-5-(3-met...)Show SMILES COc1cccc(c1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C28H36ClFN4O2/c1-32-13-15-33(16-14-32)11-4-12-34(27(35)31-21-7-8-25(30)24(29)18-21)26-9-10-28(19-23(26)28)20-5-3-6-22(17-20)36-2/h3,5-8,17-18,23,26H,4,9-16,19H2,1-2H3,(H,31,35)/t23-,26-,28-/m1/s1 | Reactome pathway
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184924
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/s1 | Reactome pathway
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184924
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/s1 | Reactome pathway
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184921
(CHEMBL204881 | N'-[4-fluoro-3-(trifluoromethyl)phe...)Show SMILES COc1ccc(cc1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H36F4N4O2/c1-35-14-16-36(17-15-35)12-3-13-37(27(38)34-21-6-9-25(30)23(18-21)29(31,32)33)26-10-11-28(19-24(26)28)20-4-7-22(39-2)8-5-20/h4-9,18,24,26H,3,10-17,19H2,1-2H3,(H,34,38)/t24-,26-,28-/m1/s1 | Reactome pathway
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184910
(CHEMBL206248 | N'-[4-fluoro-3-(trifluoromethyl)phe...)Show SMILES COc1cccc(c1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H36F4N4O2/c1-35-13-15-36(16-14-35)11-4-12-37(27(38)34-21-7-8-25(30)23(18-21)29(31,32)33)26-9-10-28(19-24(26)28)20-5-3-6-22(17-20)39-2/h3,5-8,17-18,24,26H,4,9-16,19H2,1-2H3,(H,34,38)/t24-,26-,28-/m1/s1 | Reactome pathway
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50164246
(1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex...)Show SMILES CN1CCN(CCCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H35F4N5O/c1-37-14-16-38(17-15-37)12-2-3-13-39(28(40)36-23-8-9-26(31)24(18-23)30(32,33)34)27-10-11-29(19-25(27)29)22-6-4-21(20-35)5-7-22/h4-9,18,25,27H,2-3,10-17,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/s1 | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition constant for mouse Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50164244
(3-(3-Chloro-4-fluoro-phenyl)-1-[4-(3-cyano-phenyl)...)Show SMILES Fc1ccc(NC(=O)N(CCN2CCCC2)C2CCC(=CC2)c2cccc(c2)C#N)cc1Cl |c:20| Show InChI InChI=1S/C26H28ClFN4O/c27-24-17-22(8-11-25(24)28)30-26(33)32(15-14-31-12-1-2-13-31)23-9-6-20(7-10-23)21-5-3-4-19(16-21)18-29/h3-6,8,11,16-17,23H,1-2,7,9-10,12-15H2,(H,30,33) | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition constant for human Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188316
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)Show SMILES CCC(=O)Nc1cccc(c1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C30H39ClFN5O2/c1-3-28(38)33-22-7-4-6-21(18-22)30-11-10-27(24(30)20-30)37(13-5-12-36-16-14-35(2)15-17-36)29(39)34-23-8-9-26(32)25(31)19-23/h4,6-9,18-19,24,27H,3,5,10-17,20H2,1-2H3,(H,33,38)(H,34,39)/t24-,27-,30-/m1/s1 | Reactome pathway
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50280434
(8-Chloro-3-methyl-5-propyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C14H20ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h7-8,11,17H,3-6,9H2,1-2H3 | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement. |
Bioorg Med Chem Lett 2: 399-402 (1992)
Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184926
(CHEMBL382177 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(F)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H33ClF2N4O/c1-32-12-14-33(15-13-32)10-3-11-34(26(35)31-21-6-7-24(30)23(28)17-21)25-8-9-27(18-22(25)27)19-4-2-5-20(29)16-19/h2,4-7,16-17,22,25H,3,8-15,18H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1 | Reactome pathway
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184913
(CHEMBL205838 | N-[trans-5-(4-cyano-3-fluorophenyl)...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(C#N)c(F)c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F5N5O/c1-37-11-13-38(14-12-37)9-2-10-39(27(40)36-21-5-6-24(30)22(16-21)29(32,33)34)26-7-8-28(17-23(26)28)20-4-3-19(18-35)25(31)15-20/h3-6,15-16,23,26H,2,7-14,17H2,1H3,(H,36,40)/t23-,26-,28-/m1/s1 | Reactome pathway
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50280443
(8-Chloro-5-cyclohepta-2,4,6-trienyl-3-methyl-2,3,4...)Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1C=CC=CC=C1 |c:17,19,21| Show InChI InChI=1S/C18H20ClNO/c1-20-9-8-14-10-17(19)18(21)11-15(14)16(12-20)13-6-4-2-3-5-7-13/h2-7,10-11,13,16,21H,8-9,12H2,1H3 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement. |
Bioorg Med Chem Lett 2: 399-402 (1992)
Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50451110
(CHEMBL2111540)Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r| Show InChI InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/m0/s1 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50451110
(CHEMBL2111540)Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r| Show InChI InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/m0/s1 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184911
(CHEMBL204407 | N-[trans-5-(3-cyano-4-fluorophenyl)...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)c(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F5N5O/c1-37-11-13-38(14-12-37)9-2-10-39(27(40)36-21-4-6-25(31)22(16-21)29(32,33)34)26-7-8-28(17-23(26)28)20-3-5-24(30)19(15-20)18-35/h3-6,15-16,23,26H,2,7-14,17H2,1H3,(H,36,40)/t23-,26-,28-/m1/s1 | Reactome pathway
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184949
(CHEMBL206503 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)Show SMILES Fc1ccc(NC(=O)N(CCN2CCCCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1Cl Show InChI InChI=1S/C27H30ClFN4O/c28-23-16-21(7-8-24(23)29)31-26(34)33(14-13-32-11-2-1-3-12-32)25-9-10-27(17-22(25)27)20-6-4-5-19(15-20)18-30/h4-8,15-16,22,25H,1-3,9-14,17H2,(H,31,34)/t22-,25-,27-/m1/s1 | Reactome pathway
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184941
(CHEMBL204212 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)c(F)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H32ClF3N4O/c1-33-11-13-34(14-12-33)9-2-10-35(26(36)32-19-4-6-22(29)21(28)16-19)25-7-8-27(17-20(25)27)18-3-5-23(30)24(31)15-18/h3-6,15-16,20,25H,2,7-14,17H2,1H3,(H,32,36)/t20-,25-,27-/m1/s1 | Reactome pathway
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188318
(1-((1S,2R,5S)-5-(4-aminophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(N)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H35ClFN5O/c1-32-13-15-33(16-14-32)11-2-12-34(26(35)31-21-7-8-24(29)23(28)17-21)25-9-10-27(18-22(25)27)19-3-5-20(30)6-4-19/h3-8,17,22,25H,2,9-16,18,30H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1 | Reactome pathway
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188329
(1-((1S,2R,5S)-5-(4-acetamidophenyl)bicyclo[3.1.0]h...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(NC(C)=O)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C29H37ClFN5O2/c1-20(37)32-22-6-4-21(5-7-22)29-11-10-27(24(29)19-29)36(13-3-12-35-16-14-34(2)15-17-35)28(38)33-23-8-9-26(31)25(30)18-23/h4-9,18,24,27H,3,10-17,19H2,1-2H3,(H,32,37)(H,33,38)/t24-,27-,29-/m1/s1 | Reactome pathway
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50092993
(1-Cyclohexyl-4-{2,2,2-trifluoro-1-[4-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C(F)(F)F Show InChI InChI=1S/C25H31F3N2O2S/c1-32-21-9-13-23(14-10-21)33(31)22-11-7-19(8-12-22)24(25(26,27)28)30-17-15-29(16-18-30)20-5-3-2-4-6-20/h7-14,20,24H,2-6,15-18H2,1H3 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50280441
(8-Chloro-5-cyclopent-1-enyl-3-methyl-2,3,4,5-tetra...)Show InChI InChI=1S/C16H20ClNO/c1-18-7-6-12-8-15(17)16(19)9-13(12)14(10-18)11-4-2-3-5-11/h4,8-9,14,19H,2-3,5-7,10H2,1H3 | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement. |
Bioorg Med Chem Lett 2: 399-402 (1992)
Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188317
(CHEMBL212922 | methyl 4-((1R,4S,5R)-4-(3-(4-fluoro...)Show SMILES COC(=O)c1ccc(cc1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C30H36F4N4O3/c1-36-14-16-37(17-15-36)12-3-13-38(28(40)35-22-8-9-25(31)23(18-22)30(32,33)34)26-10-11-29(19-24(26)29)21-6-4-20(5-7-21)27(39)41-2/h4-9,18,24,26H,3,10-17,19H2,1-2H3,(H,35,40)/t24-,26-,29-/m1/s1 | Reactome pathway
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50280439
(5-Allyl-8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-be...)Show InChI InChI=1S/C14H18ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h3,7-8,11,17H,1,4-6,9H2,2H3 | PDB
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| Article
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement. |
Bioorg Med Chem Lett 2: 399-402 (1992)
Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50164247
(3-(3-Chloro-4-fluoro-phenyl)-1-[(1R,3R,6S)-6-(3-cy...)Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 Show InChI InChI=1S/C27H30ClFN4O2/c28-24-14-21(4-5-25(24)29)31-26(35)33(11-10-32-9-7-23(34)17-32)22-6-8-27(15-20(27)13-22)19-3-1-2-18(12-19)16-30/h1-5,12,14,20,22-23,34H,6-11,13,15,17H2,(H,31,35)/t20-,22+,23+,27+/m0/s1 | Reactome pathway
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition constant for mouse Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092319
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3 | UniProtKB/SwissProt
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50092996
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C25H34N2O3S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)31(28,29)25-14-10-23(30-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3 | UniProtKB/SwissProt
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1 |
Bioorg Med Chem Lett 10: 2255-7 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WMF |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188321
(3-(3-chloro-4-fluorophenyl)-1-((1S,2R,5S)-5-(3-(cy...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(NC(=O)C3CC3)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C31H39ClFN5O2/c1-36-14-16-37(17-15-36)12-3-13-38(30(40)35-24-8-9-27(33)26(32)19-24)28-10-11-31(20-25(28)31)22-4-2-5-23(18-22)34-29(39)21-6-7-21/h2,4-5,8-9,18-19,21,25,28H,3,6-7,10-17,20H2,1H3,(H,34,39)(H,35,40)/t25-,28-,31-/m1/s1 | Reactome pathway
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| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184929
(CHEMBL204161 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cc(F)cc(F)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H32ClF3N4O/c1-33-9-11-34(12-10-33)7-2-8-35(26(36)32-21-3-4-24(31)23(28)16-21)25-5-6-27(17-22(25)27)18-13-19(29)15-20(30)14-18/h3-4,13-16,22,25H,2,5-12,17H2,1H3,(H,32,36)/t22-,25-,27-/m1/s1 | Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184937
(CHEMBL382631 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1 Show InChI InChI=1S/C27H28F4N4O2/c28-23-5-4-19(13-21(23)27(29,30)31)33-25(37)35(11-10-34-9-7-20(36)16-34)24-6-8-26(14-22(24)26)18-3-1-2-17(12-18)15-32/h1-5,12-13,20,22,24,36H,6-11,14,16H2,(H,33,37)/t20-,22-,24-,26-/m1/s1 | Reactome pathway
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| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
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