Found 523 hits with Last Name = 'khmelnitsky' and Initial = 'y' 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 |
|---|
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM93624
(5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4...)Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19) | PDB
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| PDB
Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329746
(CHEMBL1271731 | endo-2-((3S,5S)-3,5-dimethylmorpho...)Show SMILES C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C23H32N4O3/c1-14-12-29-13-15(2)27(14)23-25-21-19(8-5-9-20(21)30-23)22(28)24-16-10-17-6-4-7-18(11-16)26(17)3/h5,8-9,14-18H,4,6-7,10-13H2,1-3H3,(H,24,28)/t14-,15-,17+,18+/m0/s1 | PDB
Reactome pathway
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329748
(CHEMBL1271791 | endo-2-((3S,5S)-3-ethyl-5-methylmo...)Show SMILES CC[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22| Show InChI InChI=1S/C24H34N4O3/c1-4-17-14-30-13-15(2)28(17)24-26-22-20(9-6-10-21(22)31-24)23(29)25-16-11-18-7-5-8-19(12-16)27(18)3/h6,9-10,15-19H,4-5,7-8,11-14H2,1-3H3,(H,25,29)/t15-,17-,18+,19+/m0/s1 | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
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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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329745
(CHEMBL1271730 | endo-2-((S)-3-tert-butylmorpholino...)Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOC[C@@H]1C(C)(C)C |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C25H36N4O3/c1-25(2,3)21-15-31-12-11-29(21)24-27-22-19(9-6-10-20(22)32-24)23(30)26-16-13-17-7-5-8-18(14-16)28(17)4/h6,9-10,16-18,21H,5,7-8,11-15H2,1-4H3,(H,26,30)/t17-,18-,21-/m1/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329724
(CHEMBL1271960 | endo-2-((2S,6S)-2,6-dimethylpipera...)Show SMILES C[C@H]1CNC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C23H33N5O2/c1-14-12-24-13-15(2)28(14)23-26-21-19(8-5-9-20(21)30-23)22(29)25-16-10-17-6-4-7-18(11-16)27(17)3/h5,8-9,14-18,24H,4,6-7,10-13H2,1-3H3,(H,25,29)/t14-,15-,17+,18+/m0/s1 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331198
(1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]ind...)Show SMILES CSc1ccc(cc1)-c1ccn(-c2ccc3c4CNCCc4n(C)c3c2)c(=O)c1 Show InChI InChI=1S/C24H23N3OS/c1-26-22-9-11-25-15-21(22)20-8-5-18(14-23(20)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16/h3-8,10,12-14,25H,9,11,15H2,1-2H3 | Reactome pathway
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331161
(4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-i...)Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1 Show InChI InChI=1S/C25H26N4O2/c30-25-17-23(31-19-20-6-2-1-3-7-20)10-13-28(25)22-8-9-24-21(16-22)18-26-29(24)15-14-27-11-4-5-12-27/h1-3,6-10,13,16-18H,4-5,11-12,14-15,19H2 | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331161
(4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-i...)Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1 Show InChI InChI=1S/C25H26N4O2/c30-25-17-23(31-19-20-6-2-1-3-7-20)10-13-28(25)22-8-9-24-21(16-22)18-26-29(24)15-14-27-11-4-5-12-27/h1-3,6-10,13,16-18H,4-5,11-12,14-15,19H2 | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331199
(4-(4-methoxyphenyl)-1-(5-methyl-2,3,4,5-tetrahydro...)Show SMILES COc1ccc(cc1)-c1ccn(-c2ccc3c4CNCCc4n(C)c3c2)c(=O)c1 Show InChI InChI=1S/C24H23N3O2/c1-26-22-9-11-25-15-21(22)20-8-5-18(14-23(20)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16/h3-8,10,12-14,25H,9,11,15H2,1-2H3 | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331161
(4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-i...)Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1 Show InChI InChI=1S/C25H26N4O2/c30-25-17-23(31-19-20-6-2-1-3-7-20)10-13-28(25)22-8-9-24-21(16-22)18-26-29(24)15-14-27-11-4-5-12-27/h1-3,6-10,13,16-18H,4-5,11-12,14-15,19H2 | Reactome pathway
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PC cid
PC sid
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331201
(4-(4-chlorophenyl)-1-(5-methyl-2,3,4,5-tetrahydro-...)Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H20ClN3O/c1-26-21-8-10-25-14-20(21)19-7-6-18(13-22(19)26)27-11-9-16(12-23(27)28)15-2-4-17(24)5-3-15/h2-7,9,11-13,25H,8,10,14H2,1H3 | Reactome pathway
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331172
(4-(2-chloro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1...)Show SMILES COc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H25ClN4O2/c1-32-21-5-6-22(23(26)16-21)18-8-11-29(25(31)15-18)20-4-7-24-19(14-20)17-27-30(24)13-12-28-9-2-3-10-28/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3 | Reactome pathway
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50241083
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3 | Reactome pathway
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331251
((R)-4-(benzyloxy)-1-(1-(2-(2-(hydroxymethyl)pyrrol...)Show SMILES OC[C@H]1CCCN1CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O |r| Show InChI InChI=1S/C26H28N4O3/c31-18-23-7-4-11-28(23)13-14-30-25-9-8-22(15-21(25)17-27-30)29-12-10-24(16-26(29)32)33-19-20-5-2-1-3-6-20/h1-3,5-6,8-10,12,15-17,23,31H,4,7,11,13-14,18-19H2/t23-/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 |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331170
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2 | Reactome pathway
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM85330
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3 | PDB
Reactome pathway
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| DrugBank
PDB
Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329744
(CHEMBL1271678 | endo-2-((S)-3-isobutylmorpholino)-...)Show SMILES CC(C)C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:31:30:25.26.27:29.22.23| Show InChI InChI=1S/C25H36N4O3/c1-16(2)12-20-15-31-11-10-29(20)25-27-23-21(8-5-9-22(23)32-25)24(30)26-17-13-18-6-4-7-19(14-17)28(18)3/h5,8-9,16-20H,4,6-7,10-15H2,1-3H3,(H,26,30)/t18-,19-,20+/m1/s1 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331212
(4-(benzyloxy)-1-(2-(2-hydroxyethyl)-5-methyl-2,3,4...)Show SMILES Cn1c2CCN(CCO)Cc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C26H27N3O3/c1-27-24-10-11-28(13-14-30)17-23(24)22-8-7-20(15-25(22)27)29-12-9-21(16-26(29)31)32-18-19-5-3-2-4-6-19/h2-9,12,15-16,30H,10-11,13-14,17-18H2,1H3 | Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331187
(4-(benzyloxy)-1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-...)Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3CNCCc3[nH]c2c1 Show InChI InChI=1S/C23H21N3O2/c27-23-13-18(28-15-16-4-2-1-3-5-16)9-11-26(23)17-6-7-19-20-14-24-10-8-21(20)25-22(19)12-17/h1-7,9,11-13,24-25H,8,10,14-15H2 | Reactome pathway
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PC sid
UniChem
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PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331174
(4-(2-methyl-4-(trifluoromethoxy)phenyl)-1-(1-(2-(p...)Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C26H25F3N4O2/c1-18-14-22(35-26(27,28)29)5-6-23(18)19-8-11-32(25(34)16-19)21-4-7-24-20(15-21)17-30-33(24)13-12-31-9-2-3-10-31/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3 | Reactome pathway
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UniChem
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| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329742
(CHEMBL1271629 | endo-N-((1R,5R)-9-methyl-9-azabicy...)Show SMILES CCC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22| Show InChI InChI=1S/C24H34N4O3/c1-3-6-19-15-30-12-11-28(19)24-26-22-20(9-5-10-21(22)31-24)23(29)25-16-13-17-7-4-8-18(14-16)27(17)2/h5,9-10,16-19H,3-4,6-8,11-15H2,1-2H3,(H,25,29)/t17-,18-,19+/m1/s1 | PDB
Reactome pathway
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PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331200
(1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]ind...)Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H20F3N3O/c1-29-21-8-10-28-14-20(21)19-7-6-18(13-22(19)29)30-11-9-16(12-23(30)31)15-2-4-17(5-3-15)24(25,26)27/h2-7,9,11-13,28H,8,10,14H2,1H3 | Reactome pathway
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UniChem
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PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331209
(4-(4-chlorobenzyloxy)-1-(5-methyl-2,3,4,5-tetrahyd...)Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O Show InChI InChI=1S/C24H22ClN3O2/c1-27-22-8-10-26-14-21(22)20-7-6-18(12-23(20)27)28-11-9-19(13-24(28)29)30-15-16-2-4-17(25)5-3-16/h2-7,9,11-13,26H,8,10,14-15H2,1H3 | Reactome pathway
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PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331242
(2-(4-chloro-2-fluorophenyl)-5-(1-(2-(pyrrolidin-1-...)Show SMILES Fc1cc(Cl)ccc1-c1cc2c(ccn(-c3ccc4n(CCN5CCCC5)ncc4c3)c2=O)o1 Show InChI InChI=1S/C26H22ClFN4O2/c27-18-3-5-20(22(28)14-18)25-15-21-24(34-25)7-10-31(26(21)33)19-4-6-23-17(13-19)16-29-32(23)12-11-30-8-1-2-9-30/h3-7,10,13-16H,1-2,8-9,11-12H2 | Reactome pathway
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UniChem
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PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331186
(4-(benzyloxy)-1-(2,5-dimethyl-2,3,4,5-tetrahydro-1...)Show SMILES CN1CCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C25H25N3O2/c1-26-12-11-23-22(16-26)21-9-8-19(14-24(21)27(23)2)28-13-10-20(15-25(28)29)30-17-18-6-4-3-5-7-18/h3-10,13-15H,11-12,16-17H2,1-2H3 | Reactome pathway
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UniChem
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PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329741
(CHEMBL1271628 | endo-2-((S)-3-ethylmorpholino)-N-(...)Show SMILES CC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C23H32N4O3/c1-3-16-14-29-11-10-27(16)23-25-21-19(8-5-9-20(21)30-23)22(28)24-15-12-17-6-4-7-18(13-15)26(17)2/h5,8-9,15-18H,3-4,6-7,10-14H2,1-2H3,(H,24,28)/t16-,17+,18+/m0/s1 | PDB
Reactome pathway
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329730
((S)-2-amino-6-chloro-N-(quinuclidin-3-yl)benzo[d]o...)Show SMILES Nc1nc2c(cc(Cl)cc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:14.15,TLB:13:14:18.17:20.21,(4.69,-4.73,;3.15,-4.73,;2.24,-3.48,;.76,-3.96,;-.57,-3.2,;-1.9,-3.97,;-1.9,-5.51,;-3.24,-6.28,;-.57,-6.28,;.76,-5.51,;2.24,-5.99,;-.58,-1.66,;-1.91,-.89,;.76,-.88,;.75,.66,;.56,2.04,;2.02,2.68,;3.38,2.08,;3.65,.68,;2.28,1.32,;2.54,3.21,;2.09,4.32,)| Show InChI InChI=1S/C15H17ClN4O2/c16-9-5-10(13-12(6-9)22-15(17)19-13)14(21)18-11-7-20-3-1-8(11)2-4-20/h5-6,8,11H,1-4,7H2,(H2,17,19)(H,18,21)/t11-/m1/s1 | PDB
Reactome pathway
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331245
(4-(benzyloxy)-1-(1-(2-(dimethylamino)ethyl)-1H-ind...)Show SMILES CN(C)CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C23H24N4O2/c1-25(2)12-13-27-22-9-8-20(14-19(22)16-24-27)26-11-10-21(15-23(26)28)29-17-18-6-4-3-5-7-18/h3-11,14-16H,12-13,17H2,1-2H3 | Reactome pathway
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UniChem
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PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331234
((S)-4-(benzyloxy)-1-(1-(2-(3-hydroxypyrrolidin-1-y...)Show SMILES O[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1 |r| Show InChI InChI=1S/C25H26N4O3/c30-22-8-10-27(17-22)12-13-29-24-7-6-21(14-20(24)16-26-29)28-11-9-23(15-25(28)31)32-18-19-4-2-1-3-5-19/h1-7,9,11,14-16,22,30H,8,10,12-13,17-18H2/t22-/m0/s1 | Reactome pathway
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UniChem
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PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331185
(4-(benzyloxy)-1-(9-methyl-2,3,4,9-tetrahydro-1H-py...)Show SMILES Cn1c2CNCCc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C24H23N3O2/c1-26-22-13-18(7-8-20(22)21-9-11-25-15-23(21)26)27-12-10-19(14-24(27)28)29-16-17-5-3-2-4-6-17/h2-8,10,12-14,25H,9,11,15-16H2,1H3 | Reactome pathway
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PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329743
(CHEMBL1271677 | endo-2-((S)-3-isopropylmorpholino)...)Show SMILES CC(C)[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22| Show InChI InChI=1S/C24H34N4O3/c1-15(2)20-14-30-11-10-28(20)24-26-22-19(8-5-9-21(22)31-24)23(29)25-16-12-17-6-4-7-18(13-16)27(17)3/h5,8-9,15-18,20H,4,6-7,10-14H2,1-3H3,(H,25,29)/t17-,18-,20-/m1/s1 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
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PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331168
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2 | Reactome pathway
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PC sid
UniChem
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Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331236
(2-(4-chlorophenyl)-5-(1-(2-(pyrrolidin-1-yl)ethyl)...)Show SMILES Clc1ccc(cc1)-c1cc2c(ccn(-c3ccc4n(CCN5CCCC5)ncc4c3)c2=O)o1 Show InChI InChI=1S/C26H23ClN4O2/c27-20-5-3-18(4-6-20)25-16-22-24(33-25)9-12-30(26(22)32)21-7-8-23-19(15-21)17-28-31(23)14-13-29-10-1-2-11-29/h3-9,12,15-17H,1-2,10-11,13-14H2 | Reactome pathway
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| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331184
(4-(benzyloxy)-1-(2,9-dimethyl-2,3,4,9-tetrahydro-1...)Show SMILES CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C25H25N3O2/c1-26-12-11-22-21-9-8-19(14-23(21)27(2)24(22)16-26)28-13-10-20(15-25(28)29)30-17-18-6-4-3-5-7-18/h3-10,13-15H,11-12,16-17H2,1-2H3 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331196
(4-(4-chlorophenyl)-1-(2,9-dimethyl-2,3,4,9-tetrahy...)Show SMILES CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(cc1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H22ClN3O/c1-26-11-10-21-20-8-7-19(14-22(20)27(2)23(21)15-26)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h3-9,12-14H,10-11,15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331171
(4-(2-chloro-4-(trifluoromethyl)phenyl)-1-(1-(2-(py...)Show SMILES FC(F)(F)c1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H22ClF3N4O/c26-22-15-19(25(27,28)29)3-5-21(22)17-7-10-32(24(34)14-17)20-4-6-23-18(13-20)16-30-33(23)12-11-31-8-1-2-9-31/h3-7,10,13-16H,1-2,8-9,11-12H2 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331239
(2-(4-fluorophenyl)-5-(1-(2-(pyrrolidin-1-yl)ethyl)...)Show SMILES Fc1ccc(cc1)-c1cc2c(ccn(-c3ccc4n(CCN5CCCC5)ncc4c3)c2=O)o1 Show InChI InChI=1S/C26H23FN4O2/c27-20-5-3-18(4-6-20)25-16-22-24(33-25)9-12-30(26(22)32)21-7-8-23-19(15-21)17-28-31(23)14-13-29-10-1-2-11-29/h3-9,12,15-17H,1-2,10-11,13-14H2 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331210
(1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]ind...)Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(cc2)C(F)(F)F)cc1=O Show InChI InChI=1S/C25H22F3N3O2/c1-30-22-8-10-29-14-21(22)20-7-6-18(12-23(20)30)31-11-9-19(13-24(31)32)33-15-16-2-4-17(5-3-16)25(26,27)28/h2-7,9,11-13,29H,8,10,14-15H2,1H3 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329747
(2-((3S,5S)-3,5-dimethylmorpholino)-N-((S)-quinucli...)Show SMILES C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wU:1.0,wD:20.22,5.5,TLB:19:20:24.23:26.27,(46.08,-23.8,;46.85,-25.13,;48.39,-25.12,;49.17,-26.46,;48.39,-27.8,;46.86,-27.8,;46.08,-29.13,;46.09,-26.46,;44.55,-26.46,;43.64,-25.21,;42.16,-25.69,;40.83,-24.93,;39.5,-25.7,;39.5,-27.24,;40.83,-28.01,;42.17,-27.24,;43.64,-27.72,;40.82,-23.39,;39.49,-22.62,;42.16,-22.61,;42.15,-21.07,;41.96,-19.69,;43.43,-19.05,;44.78,-19.65,;45.05,-21.05,;43.69,-20.41,;43.94,-18.52,;43.5,-17.41,)| Show InChI InChI=1S/C21H28N4O3/c1-13-11-27-12-14(2)25(13)21-23-19-16(4-3-5-18(19)28-21)20(26)22-17-10-24-8-6-15(17)7-9-24/h3-5,13-15,17H,6-12H2,1-2H3,(H,22,26)/t13-,14-,17+/m0/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331206
(4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-2,3,4,5-t...)Show SMILES COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4CNCCc4n(C)c3c2)c(=O)c1 Show InChI InChI=1S/C24H22ClN3O2/c1-27-21-7-9-26-14-20(21)19-6-4-17(13-22(19)27)28-10-8-15(11-24(28)29)18-5-3-16(25)12-23(18)30-2/h3-6,8,10-13,26H,7,9,14H2,1-2H3 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331197
(4-(2,4-dichlorophenyl)-1-(5-methyl-2,3,4,5-tetrahy...)Show SMILES Cn1c2CCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H19Cl2N3O/c1-27-21-6-8-26-13-19(21)18-5-3-16(12-22(18)27)28-9-7-14(10-23(28)29)17-4-2-15(24)11-20(17)25/h2-5,7,9-12,26H,6,8,13H2,1H3 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50054539
(CHEMBL3323088)Show InChI InChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting |
ACS Med Chem Lett 5: 760-5 (2014)
Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331205
(4-(4-methoxy-2-methylphenyl)-1-(5-methyl-2,3,4,5-t...)Show SMILES COc1ccc(c(C)c1)-c1ccn(-c2ccc3c4CNCCc4n(C)c3c2)c(=O)c1 Show InChI InChI=1S/C25H25N3O2/c1-16-12-19(30-3)5-7-20(16)17-9-11-28(25(29)13-17)18-4-6-21-22-15-26-10-8-23(22)27(2)24(21)14-18/h4-7,9,11-14,26H,8,10,15H2,1-3H3 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331203
(4-(4-chlorobenzyloxy)-1-(2,9-dimethyl-2,3,4,9-tetr...)Show SMILES CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(OCc2ccc(Cl)cc2)cc1=O Show InChI InChI=1S/C25H24ClN3O2/c1-27-11-10-22-21-8-7-19(13-23(21)28(2)24(22)15-27)29-12-9-20(14-25(29)30)31-16-17-3-5-18(26)6-4-17/h3-9,12-14H,10-11,15-16H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331207
(1-(2,5-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b...)Show SMILES CN1CCc2c(C1)c1ccc(cc1n2C)-n1ccc(cc1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN3O/c1-26-11-10-22-21(15-26)20-8-7-19(14-23(20)27(22)2)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h3-9,12-14H,10-11,15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50329728
(CHEMBL1272073 | endo-2-cyclopropyl-N-((1R,5R)-9-me...)Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)C1CC1 |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C20H25N3O2/c1-23-14-4-2-5-15(23)11-13(10-14)21-19(24)16-6-3-7-17-18(16)22-20(25-17)12-8-9-12/h3,6-7,12-15H,2,4-5,8-11H2,1H3,(H,21,24)/t14-,15-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Binding affinity to human HT3A receptor |
Bioorg Med Chem Lett 20: 6538-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.038
BindingDB Entry DOI: 10.7270/Q2Z31ZVH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331193
(1-(9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]ind...)Show SMILES CSc1ccc(cc1)-c1ccn(-c2ccc3c4CCNCc4n(C)c3c2)c(=O)c1 Show InChI InChI=1S/C24H23N3OS/c1-26-22-14-18(5-8-20(22)21-9-11-25-15-23(21)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16/h3-8,10,12-14,25H,9,11,15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7024-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331248
((S)-4-(benzyloxy)-1-(1-(2-(3-methoxypyrrolidin-1-y...)Show SMILES CO[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1 |r| Show InChI InChI=1S/C26H28N4O3/c1-32-24-9-11-28(18-24)13-14-30-25-8-7-22(15-21(25)17-27-30)29-12-10-23(16-26(29)31)33-19-20-5-3-2-4-6-20/h2-8,10,12,15-17,24H,9,11,13-14,18-19H2,1H3/t24-/m0/s1 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331244
(2-phenyl-5-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazo...)Show SMILES O=c1n(ccc2oc(cc12)-c1ccccc1)-c1ccc2n(CCN3CCCC3)ncc2c1 Show InChI InChI=1S/C26H24N4O2/c31-26-22-17-25(19-6-2-1-3-7-19)32-24(22)10-13-29(26)21-8-9-23-20(16-21)18-27-30(23)15-14-28-11-4-5-12-28/h1-3,6-10,13,16-18H,4-5,11-12,14-15H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7015-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.039
BindingDB Entry DOI: 10.7270/Q2P55NSM |
More data for this
Ligand-Target Pair | |
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