Found 94 hits with Last Name = 'schwarz' 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 |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206687
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN5O2S/c1-29(20-9-11-30(14-20)19-3-2-4-19)26(34)31-12-10-21(15-31)32-16-28-22-13-23(35-24(22)25(32)33)17-5-7-18(27)8-6-17/h5-8,13,16,19-21H,2-4,9-12,14-15H2,1H3/t20-,21-/m0/s1 | Reactome pathway
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| CHEMBL
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PC sid
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206675
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCC(C)(C)CC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H38ClN5O2S/c1-30(2)12-8-22(9-13-30)34-14-10-23(17-34)33(3)29(38)35-15-11-24(18-35)36-19-32-25-16-26(39-27(25)28(36)37)20-4-6-21(31)7-5-20/h4-7,16,19,22-24H,8-15,17-18H2,1-3H3/t23-,24-/m0/s1 | Reactome pathway
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206679
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN5O2S/c1-29(20-8-10-30(14-20)13-17-2-3-17)26(34)31-11-9-21(15-31)32-16-28-22-12-23(35-24(22)25(32)33)18-4-6-19(27)7-5-18/h4-7,12,16-17,20-21H,2-3,8-11,13-15H2,1H3/t20-,21-/m0/s1 | Reactome pathway
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PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206666
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H32ClN5O3S/c1-30(21-6-10-31(15-21)20-8-12-36-13-9-20)27(35)32-11-7-22(16-32)33-17-29-23-14-24(37-25(23)26(33)34)18-2-4-19(28)5-3-18/h2-5,14,17,20-22H,6-13,15-16H2,1H3/t21-,22-/m0/s1 | Reactome pathway
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UniChem
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206690
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CC2CCOC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 |w:7.6| Show InChI InChI=1S/C27H32ClN5O3S/c1-30(21-6-9-31(14-21)13-18-8-11-36-16-18)27(35)32-10-7-22(15-32)33-17-29-23-12-24(37-25(23)26(33)34)19-2-4-20(28)5-3-19/h2-5,12,17-18,21-22H,6-11,13-16H2,1H3/t18?,21-,22-/m0/s1 | Reactome pathway
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206681
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(Cc2ccoc2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H28ClN5O3S/c1-30(21-6-9-31(14-21)13-18-8-11-36-16-18)27(35)32-10-7-22(15-32)33-17-29-23-12-24(37-25(23)26(33)34)19-2-4-20(28)5-3-19/h2-5,8,11-12,16-17,21-22H,6-7,9-10,13-15H2,1H3/t21-,22-/m0/s1 | Reactome pathway
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206677
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H32ClN5O2S/c1-30(21-10-12-31(15-21)20-4-2-3-5-20)27(35)32-13-11-22(16-32)33-17-29-23-14-24(36-25(23)26(33)34)18-6-8-19(28)9-7-18/h6-9,14,17,20-22H,2-5,10-13,15-16H2,1H3/t21-,22-/m0/s1 | Reactome pathway
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206689
((S)-3-(6-(4-ethylphenyl)-4-oxothieno[3,2-d]pyrimid...)Show SMILES CCc1ccc(cc1)-c1cc2ncn([C@H]3CCN(C3)C(=O)N(C)[C@H]3CCN(C)C3)c(=O)c2s1 Show InChI InChI=1S/C25H31N5O2S/c1-4-17-5-7-18(8-6-17)22-13-21-23(33-22)24(31)30(16-26-21)20-10-12-29(15-20)25(32)28(3)19-9-11-27(2)14-19/h5-8,13,16,19-20H,4,9-12,14-15H2,1-3H3/t19-,20-/m0/s1 | Reactome pathway
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206673
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CC(C)N1CC[C@@H](C1)N(C)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN5O2S/c1-16(2)29-10-8-19(13-29)28(3)25(33)30-11-9-20(14-30)31-15-27-21-12-22(34-23(21)24(31)32)17-4-6-18(26)7-5-17/h4-7,12,15-16,19-20H,8-11,13-14H2,1-3H3/t19-,20-/m0/s1 | Reactome pathway
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| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206669
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CCCc2ccccc2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C31H34ClN5O2S/c1-34(25-13-16-35(19-25)15-5-8-22-6-3-2-4-7-22)31(39)36-17-14-26(20-36)37-21-33-27-18-28(40-29(27)30(37)38)23-9-11-24(32)12-10-23/h2-4,6-7,9-12,18,21,25-26H,5,8,13-17,19-20H2,1H3/t25-,26-/m0/s1 | Reactome pathway
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206663
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CCC2CCOCC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H36ClN5O3S/c1-32(23-7-12-33(17-23)11-6-20-9-14-38-15-10-20)29(37)34-13-8-24(18-34)35-19-31-25-16-26(39-27(25)28(35)36)21-2-4-22(30)5-3-21/h2-5,16,19-20,23-24H,6-15,17-18H2,1H3/t23-,24-/m0/s1 | Reactome pathway
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PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206662
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CC2CCOCC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H34ClN5O3S/c1-31(22-6-10-32(16-22)15-19-8-12-37-13-9-19)28(36)33-11-7-23(17-33)34-18-30-24-14-25(38-26(24)27(34)35)20-2-4-21(29)5-3-20/h2-5,14,18-19,22-23H,6-13,15-17H2,1H3/t22-,23-/m0/s1 | Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206665
((S)-3-(6-(4-ethylphenyl)-4-oxothieno[3,2-d]pyrimid...)Show SMILES CCc1ccc(cc1)-c1cc2ncn([C@H]3CCN(C3)C(=O)N(C)[C@H]3CCN(C3)C3CCOCC3)c(=O)c2s1 Show InChI InChI=1S/C29H37N5O3S/c1-3-20-4-6-21(7-5-20)26-16-25-27(38-26)28(35)34(19-30-25)24-9-13-33(18-24)29(36)31(2)23-8-12-32(17-23)22-10-14-37-15-11-22/h4-7,16,19,22-24H,3,8-15,17-18H2,1-2H3/t23-,24-/m0/s1 | Reactome pathway
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206670
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H26ClN5O2S/c1-26-9-7-17(12-26)27(2)23(31)28-10-8-18(13-28)29-14-25-19-11-20(32-21(19)22(29)30)15-3-5-16(24)6-4-15/h3-6,11,14,17-18H,7-10,12-13H2,1-2H3/t17-,18-/m0/s1 | Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206686
((S)-3-(6-(2-chloro-4-ethoxyphenyl)-4-oxothieno[3,2...)Show SMILES CCOc1ccc(-c2cc3ncn([C@H]4CCN(C4)C(=O)N(C)[C@H]4CCN(C4)C4CCOCC4)c(=O)c3s2)c(Cl)c1 Show InChI InChI=1S/C29H36ClN5O4S/c1-3-39-22-4-5-23(24(30)14-22)26-15-25-27(40-26)28(36)35(18-31-25)21-7-11-34(17-21)29(37)32(2)20-6-10-33(16-20)19-8-12-38-13-9-19/h4-5,14-15,18-21H,3,6-13,16-17H2,1-2H3/t20-,21-/m0/s1 | Reactome pathway
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PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206693
((S)-N-methyl-3-(4-oxo-6-p-tolylthieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(C)cc1 Show InChI InChI=1S/C28H35N5O3S/c1-19-3-5-20(6-4-19)25-15-24-26(37-25)27(34)33(18-29-24)23-8-12-32(17-23)28(35)30(2)22-7-11-31(16-22)21-9-13-36-14-10-21/h3-6,15,18,21-23H,7-14,16-17H2,1-2H3/t22-,23-/m0/s1 | Reactome pathway
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UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206678
((S)-N-methyl-N-((S)-1-methylpyrrolidin-3-yl)-3-(4-...)Show SMILES CN([C@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(C)cc1 Show InChI InChI=1S/C24H29N5O2S/c1-16-4-6-17(7-5-16)21-12-20-22(32-21)23(30)29(15-25-20)19-9-11-28(14-19)24(31)27(3)18-8-10-26(2)13-18/h4-7,12,15,18-19H,8-11,13-14H2,1-3H3/t18-,19-/m0/s1 | Reactome pathway
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PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206692
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCNC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H24ClN5O2S/c1-26(16-6-8-24-11-16)22(30)27-9-7-17(12-27)28-13-25-18-10-19(31-20(18)21(28)29)14-2-4-15(23)5-3-14/h2-5,10,13,16-17,24H,6-9,11-12H2,1H3/t16-,17-/m0/s1 | Reactome pathway
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206676
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CC(=O)C(C)(C)C)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H34ClN5O3S/c1-28(2,3)24(35)16-32-11-9-20(14-32)31(4)27(37)33-12-10-21(15-33)34-17-30-22-13-23(38-25(22)26(34)36)18-5-7-19(29)8-6-18/h5-8,13,17,20-21H,9-12,14-16H2,1-4H3/t20-,21-/m0/s1 | Reactome pathway
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206684
((S)-N-methyl-N-((S)-1-methylpyrrolidin-3-yl)-3-(4-...)Show SMILES CN([C@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H26F3N5O2S/c1-29-9-7-17(12-29)30(2)23(34)31-10-8-18(13-31)32-14-28-19-11-20(35-21(19)22(32)33)15-3-5-16(6-4-15)24(25,26)27/h3-6,11,14,17-18H,7-10,12-13H2,1-2H3/t17-,18-/m0/s1 | Reactome pathway
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206685
((S)-N-methyl-3-(4-oxo-6-(4-(trifluoromethoxy)pheny...)Show SMILES CN([C@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H32F3N5O4S/c1-33(20-6-10-34(15-20)19-8-12-39-13-9-19)27(38)35-11-7-21(16-35)36-17-32-23-14-24(41-25(23)26(36)37)18-2-4-22(5-3-18)40-28(29,30)31/h2-5,14,17,19-21H,6-13,15-16H2,1H3/t20-,21-/m0/s1 | Reactome pathway
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206688
((S)-N-methyl-3-(4-oxo-6-(4-(trifluoromethyl)phenyl...)Show SMILES CN([C@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H32F3N5O3S/c1-33(21-6-10-34(15-21)20-8-12-39-13-9-20)27(38)35-11-7-22(16-35)36-17-32-23-14-24(40-25(23)26(36)37)18-2-4-19(5-3-18)28(29,30)31/h2-5,14,17,20-22H,6-13,15-16H2,1H3/t21-,22-/m0/s1 | Reactome pathway
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206680
((S)-3-(6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrim...)Show SMILES COc1ccc(cc1)-c1cc2ncn([C@H]3CCN(C3)C(=O)N(C)[C@H]3CCN(C)C3)c(=O)c2s1 Show InChI InChI=1S/C24H29N5O3S/c1-26-10-8-17(13-26)27(2)24(31)28-11-9-18(14-28)29-15-25-20-12-21(33-22(20)23(29)30)16-4-6-19(32-3)7-5-16/h4-7,12,15,17-18H,8-11,13-14H2,1-3H3/t17-,18-/m0/s1 | Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206667
((S)-3-(6-(2-chloro-4-ethoxyphenyl)-4-oxothieno[3,2...)Show SMILES CCOc1ccc(-c2cc3ncn([C@H]4CCN(C4)C(=O)N(C)[C@H]4CCN(C)C4)c(=O)c3s2)c(Cl)c1 Show InChI InChI=1S/C25H30ClN5O3S/c1-4-34-18-5-6-19(20(26)11-18)22-12-21-23(35-22)24(32)31(15-27-21)17-8-10-30(14-17)25(33)29(3)16-7-9-28(2)13-16/h5-6,11-12,15-17H,4,7-10,13-14H2,1-3H3/t16-,17-/m0/s1 | Reactome pathway
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206672
((S)-3-(6-(4-methoxy-2-methylphenyl)-4-oxothieno[3,...)Show SMILES COc1ccc(-c2cc3ncn([C@H]4CCN(C4)C(=O)N(C)[C@H]4CCN(C4)C4CCOCC4)c(=O)c3s2)c(C)c1 Show InChI InChI=1S/C29H37N5O4S/c1-19-14-23(37-3)4-5-24(19)26-15-25-27(39-26)28(35)34(18-30-25)22-7-11-33(17-22)29(36)31(2)21-6-10-32(16-21)20-8-12-38-13-9-20/h4-5,14-15,18,20-22H,6-13,16-17H2,1-3H3/t21-,22-/m0/s1 | Reactome pathway
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206671
((S)-N-methyl-N-((S)-1-methylpyrrolidin-3-yl)-3-(4-...)Show SMILES CN([C@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C24H26F3N5O3S/c1-29-9-7-16(12-29)30(2)23(34)31-10-8-17(13-31)32-14-28-19-11-20(36-21(19)22(32)33)15-3-5-18(6-4-15)35-24(25,26)27/h3-6,11,14,16-17H,7-10,12-13H2,1-2H3/t16-,17-/m0/s1 | Reactome pathway
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206674
((S)-3-(6-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-o...)Show SMILES CN([C@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C29H35N5O5S/c1-31(21-4-8-32(16-21)20-6-10-37-11-7-20)29(36)33-9-5-22(17-33)34-18-30-23-15-26(40-27(23)28(34)35)19-2-3-24-25(14-19)39-13-12-38-24/h2-3,14-15,18,20-22H,4-13,16-17H2,1H3/t21-,22-/m0/s1 | Reactome pathway
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206694
((S)-3-(6-(4-methoxy-2-methylphenyl)-4-oxothieno[3,...)Show SMILES COc1ccc(-c2cc3ncn([C@H]4CCN(C4)C(=O)N(C)[C@H]4CCN(C)C4)c(=O)c3s2)c(C)c1 Show InChI InChI=1S/C25H31N5O3S/c1-16-11-19(33-4)5-6-20(16)22-12-21-23(34-22)24(31)30(15-26-21)18-8-10-29(14-18)25(32)28(3)17-7-9-27(2)13-17/h5-6,11-12,15,17-18H,7-10,13-14H2,1-4H3/t17-,18-/m0/s1 | Reactome pathway
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206661
((S)-3-(6-(2,4-dimethylphenyl)-4-oxothieno[3,2-d]py...)Show SMILES CN([C@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(C)cc1C Show InChI InChI=1S/C25H31N5O2S/c1-16-5-6-20(17(2)11-16)22-12-21-23(33-22)24(31)30(15-26-21)19-8-10-29(14-19)25(32)28(4)18-7-9-27(3)13-18/h5-6,11-12,15,18-19H,7-10,13-14H2,1-4H3/t18-,19-/m0/s1 | Reactome pathway
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206664
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CC2CCCCC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H36ClN5O2S/c1-32(23-11-13-33(17-23)16-20-5-3-2-4-6-20)29(37)34-14-12-24(18-34)35-19-31-25-15-26(38-27(25)28(35)36)21-7-9-22(30)10-8-21/h7-10,15,19-20,23-24H,2-6,11-14,16-18H2,1H3/t23-,24-/m0/s1 | Reactome pathway
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206668
((R)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H32ClN5O3S/c1-30(21-6-10-31(15-21)20-8-12-36-13-9-20)27(35)32-11-7-22(16-32)33-17-29-23-14-24(37-25(23)26(33)34)18-2-4-19(28)5-3-18/h2-5,14,17,20-22H,6-13,15-16H2,1H3/t21-,22-/m1/s1 | Reactome pathway
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| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206682
((S)-3-(6-(2,4-dimethylphenyl)-4-oxothieno[3,2-d]py...)Show SMILES CN([C@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(C)cc1C Show InChI InChI=1S/C29H37N5O3S/c1-19-4-5-24(20(2)14-19)26-15-25-27(38-26)28(35)34(18-30-25)23-7-11-33(17-23)29(36)31(3)22-6-10-32(16-22)21-8-12-37-13-9-21/h4-5,14-15,18,21-23H,6-13,16-17H2,1-3H3/t22-,23-/m0/s1 | Reactome pathway
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206691
((S)-3-[6-(4-chloro-phenyl)-4-oxo-4H-thieno[3,2-d]p...)Show SMILES CN([C@H]1CCN(CC(=O)c2ccc(OC(F)(F)F)cc2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C31H29ClF3N5O4S/c1-37(22-10-12-38(15-22)17-26(41)19-4-8-24(9-5-19)44-31(33,34)35)30(43)39-13-11-23(16-39)40-18-36-25-14-27(45-28(25)29(40)42)20-2-6-21(32)7-3-20/h2-9,14,18,22-23H,10-13,15-17H2,1H3/t22-,23-/m0/s1 | Reactome pathway
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206695
((S)-3-(6-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-o...)Show SMILES CN([C@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C25H29N5O4S/c1-27-7-5-17(13-27)28(2)25(32)29-8-6-18(14-29)30-15-26-19-12-22(35-23(19)24(30)31)16-3-4-20-21(11-16)34-10-9-33-20/h3-4,11-12,15,17-18H,5-10,13-14H2,1-2H3/t17-,18-/m0/s1 | Reactome pathway
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| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206683
((R)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H32ClN5O3S/c1-30(21-6-10-31(15-21)20-8-12-36-13-9-20)27(35)32-11-7-22(16-32)33-17-29-23-14-24(37-25(23)26(33)34)18-2-4-19(28)5-3-18/h2-5,14,17,20-22H,6-13,15-16H2,1H3/t21-,22+/m0/s1 | Reactome pathway
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| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206687
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN5O2S/c1-29(20-9-11-30(14-20)19-3-2-4-19)26(34)31-12-10-21(15-31)32-16-28-22-13-23(35-24(22)25(32)33)17-5-7-18(27)8-6-17/h5-8,13,16,19-21H,2-4,9-12,14-15H2,1H3/t20-,21-/m0/s1 | Reactome pathway
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206675
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCC(C)(C)CC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H38ClN5O2S/c1-30(2)12-8-22(9-13-30)34-14-10-23(17-34)33(3)29(38)35-15-11-24(18-35)36-19-32-25-16-26(39-27(25)28(36)37)20-4-6-21(31)7-5-20/h4-7,16,19,22-24H,8-15,17-18H2,1-3H3/t23-,24-/m0/s1 | Reactome pathway
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206679
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN5O2S/c1-29(20-8-10-30(14-20)13-17-2-3-17)26(34)31-11-9-21(15-31)32-16-28-22-12-23(35-24(22)25(32)33)18-4-6-19(27)7-5-18/h4-7,12,16-17,20-21H,2-3,8-11,13-15H2,1H3/t20-,21-/m0/s1 | Reactome pathway
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206690
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CC2CCOC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 |w:7.6| Show InChI InChI=1S/C27H32ClN5O3S/c1-30(21-6-9-31(14-21)13-18-8-11-36-16-18)27(35)32-10-7-22(15-32)33-17-29-23-12-24(37-25(23)26(33)34)19-2-4-20(28)5-3-19/h2-5,12,17-18,21-22H,6-11,13-16H2,1H3/t18?,21-,22-/m0/s1 | Reactome pathway
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411390
(CHEMBL397222)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)c(Cl)c4)n3C)CCc2c1 Show InChI InChI=1S/C26H27Cl2N5OS/c1-17-14-24(31-34-17)20-5-4-18-8-11-33(12-9-19(18)15-20)10-3-13-35-26-30-29-25(32(26)2)21-6-7-22(27)23(28)16-21/h4-7,14-16H,3,8-13H2,1-2H3 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206662
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CC2CCOCC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H34ClN5O3S/c1-31(22-6-10-32(16-22)15-19-8-12-37-13-9-19)28(36)33-11-7-23(17-33)34-18-30-24-14-25(38-26(24)27(34)35)20-2-4-21(29)5-3-20/h2-5,14,18-19,22-23H,6-13,15-17H2,1H3/t22-,23-/m0/s1 | Reactome pathway
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206663
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(CCC2CCOCC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H36ClN5O3S/c1-32(23-7-12-33(17-23)11-6-20-9-14-38-15-10-20)29(37)34-13-8-24(18-34)35-19-31-25-16-26(39-27(25)28(35)36)21-2-4-22(30)5-3-21/h2-5,16,19-20,23-24H,6-15,17-18H2,1H3/t23-,24-/m0/s1 | Reactome pathway
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206677
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H32ClN5O2S/c1-30(21-10-12-31(15-21)20-4-2-3-5-20)27(35)32-13-11-22(16-32)33-17-29-23-14-24(36-25(23)26(33)34)18-6-8-19(28)9-7-18/h6-9,14,17,20-22H,2-5,10-13,15-16H2,1H3/t21-,22-/m0/s1 | Reactome pathway
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206681
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(Cc2ccoc2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H28ClN5O3S/c1-30(21-6-9-31(14-21)13-18-8-11-36-16-18)27(35)32-10-7-22(15-32)33-17-29-23-12-24(37-25(23)26(33)34)19-2-4-20(28)5-3-19/h2-5,8,11-12,16-17,21-22H,6-7,9-10,13-15H2,1H3/t21-,22-/m0/s1 | Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411385
(CHEMBL243896)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C#N)n3C)CCc2c1 Show InChI InChI=1S/C27H28N6OS/c1-19-16-25(31-34-19)24-9-8-21-10-13-33(14-11-23(21)17-24)12-3-15-35-27-30-29-26(32(27)2)22-6-4-20(18-28)5-7-22/h4-9,16-17H,3,10-15H2,1-2H3 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206670
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H26ClN5O2S/c1-26-9-7-17(12-26)27(2)23(31)28-10-8-18(13-28)29-14-25-19-11-20(32-21(19)22(29)30)15-3-5-16(24)6-4-15/h3-6,11,14,17-18H,7-10,12-13H2,1-2H3/t17-,18-/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 |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206666
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H32ClN5O3S/c1-30(21-6-10-31(15-21)20-8-12-36-13-9-20)27(35)32-11-7-22(16-32)33-17-29-23-14-24(37-25(23)26(33)34)18-2-4-19(28)5-3-18/h2-5,14,17,20-22H,6-13,15-16H2,1H3/t21-,22-/m0/s1 | Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206673
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CC(C)N1CC[C@@H](C1)N(C)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN5O2S/c1-16(2)29-10-8-19(13-29)28(3)25(33)30-11-9-20(14-30)31-15-27-21-12-22(34-23(21)24(31)32)17-4-6-18(26)7-5-17/h4-7,12,15-16,19-20H,8-11,13-14H2,1-3H3/t19-,20-/m0/s1 | Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411382
(CHEMBL395742)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(C)cc4)n3C)CCc2c1 Show InChI InChI=1S/C27H31N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h5-10,17-18H,4,11-16H2,1-3H3 | PDB
MMDB
Reactome pathway
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UniChem
Similars
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PubMed
| n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411387
(CHEMBL244279)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)cc4)n3C)CCc2c1 Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)22-5-4-19-10-13-32(14-11-21(19)17-22)12-3-15-34-26-29-28-25(31(26)2)20-6-8-23(27)9-7-20/h4-9,16-17H,3,10-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this
Ligand-Target Pair | |
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