Found 365 hits with Last Name = 'chen' and Initial = 'ca' 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
(RAT) | BDBM50152456
((S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]...)Show SMILES COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1 | Reactome pathway
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50152456
((S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]...)Show SMILES COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1 | Reactome pathway
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM517
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
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| CHEMBL
MCE
MMDB
PC cid
PC sid
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UniChem
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| PDB
Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
| Assay Description
Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C. |
Chem Biol 8: 1161-6 (2001)
Article DOI: 10.1016/S1074-5521(01)00079-5
BindingDB Entry DOI: 10.7270/Q20V8B63 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219036
(CHEMBL388440 | N-{3-[1-(3-{[hydroxy(diphenyl)acety...)Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C33H41N3O3/c1-24(2)31(37)35-29-16-15-25(3)30(23-29)26-17-21-36(22-18-26)20-10-19-34-32(38)33(39,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23-24,26,39H,10,17-22H2,1-3H3,(H,34,38)(H,35,37) | Reactome pathway
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| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219040
(CHEMBL429464 | N-{3-[1-(3-{[bis(4-fluorophenyl)ace...)Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C33H39F2N3O2/c1-22(2)32(39)37-29-14-5-23(3)30(21-29)24-15-19-38(20-16-24)18-4-17-36-33(40)31(25-6-10-27(34)11-7-25)26-8-12-28(35)13-9-26/h5-14,21-22,24,31H,4,15-20H2,1-3H3,(H,36,40)(H,37,39) | Reactome pathway
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PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219026
(CHEMBL243338 | N-{3-[1-(3-{[bis(4-fluorophenyl)ace...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCNC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C32H37F2N3O2/c1-22(2)31(38)36-29-6-3-5-26(21-29)23-15-19-37(20-16-23)18-4-17-35-32(39)30(24-7-11-27(33)12-8-24)25-9-13-28(34)14-10-25/h3,5-14,21-23,30H,4,15-20H2,1-2H3,(H,35,39)(H,36,38) | Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219047
(CHEMBL245231 | N-(3-(1-(4-(3,4-difluorophenoxy)ben...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 Show InChI InChI=1S/C28H30F2N2O2/c1-19(2)28(33)31-23-5-3-4-22(16-23)21-12-14-32(15-13-21)18-20-6-8-24(9-7-20)34-25-10-11-26(29)27(30)17-25/h3-11,16-17,19,21H,12-15,18H2,1-2H3,(H,31,33) | Reactome pathway
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219035
(CHEMBL243355 | N-{5-[1-(3-{[bis(4-fluorophenyl)ace...)Show SMILES CC(C)C(=O)Nc1cc(C2CCN(CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)cc1F Show InChI InChI=1S/C32H35F4N3O2/c1-20(2)31(40)38-29-18-26(27(35)19-28(29)36)21-12-16-39(17-13-21)15-3-14-37-32(41)30(22-4-8-24(33)9-5-22)23-6-10-25(34)11-7-23/h4-11,18-21,30H,3,12-17H2,1-2H3,(H,37,41)(H,38,40) | Reactome pathway
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219037
(1-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamino)-2-...)Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C2(CCCCC2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C32H44FN3O2/c1-23(2)30(37)35-28-13-8-24(3)29(22-28)25-14-20-36(21-15-25)19-7-18-34-31(38)32(16-5-4-6-17-32)26-9-11-27(33)12-10-26/h8-13,22-23,25H,4-7,14-21H2,1-3H3,(H,34,38)(H,35,37) | Reactome pathway
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219029
(CHEMBL390679 | N-{3-[1-(2-diphenylacetylamino-ethy...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCNC(=O)C(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C31H37N3O2/c1-23(2)30(35)33-28-15-9-14-27(22-28)24-16-19-34(20-17-24)21-18-32-31(36)29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,22-24,29H,16-21H2,1-2H3,(H,32,36)(H,33,35) | Reactome pathway
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219023
(CHEMBL243138 | N-{3-[1-(3-diphenylacetylamino-prop...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C32H39N3O2/c1-24(2)31(36)34-29-16-9-15-28(23-29)25-17-21-35(22-18-25)20-10-19-33-32(37)30(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-9,11-16,23-25,30H,10,17-22H2,1-2H3,(H,33,37)(H,34,36) | Reactome pathway
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449332
(CHEMBL3126041)Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCCC2=O)nc1 |r,wU:15.15,18.22,(18.54,-26.36,;19.31,-25.02,;18.54,-23.7,;19.31,-22.36,;18.54,-21.02,;20.85,-22.36,;21.62,-23.7,;20.85,-25.02,;23.16,-23.7,;23.93,-22.36,;25.47,-22.36,;26.24,-23.7,;27.78,-23.7,;28.55,-25.02,;27.78,-26.36,;30.1,-25.02,;30.87,-26.36,;32.41,-26.36,;33.18,-25.02,;32.41,-23.7,;30.87,-23.7,;34.72,-25.02,;35.49,-23.7,;37.03,-23.7,;37.8,-25.02,;37.03,-26.36,;35.49,-26.36,;34.72,-27.7,;25.47,-25.02,;23.93,-25.02,)| Show InChI InChI=1S/C23H25F2N3O2/c24-18-11-17(12-19(25)13-18)16-6-9-21(26-14-16)27-23(30)15-4-7-20(8-5-15)28-10-2-1-3-22(28)29/h6,9,11-15,20H,1-5,7-8,10H2,(H,26,27,30)/t15-,20+ | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219053
(CHEMBL242004 | N-(3-{1-4-(3,4-difluorophenoxy)benz...)Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 Show InChI InChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34) | Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219044
(CHEMBL243128 | N-{3-[1-(3-{[bis(4-chlorophenyl)ace...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCNC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C32H37Cl2N3O2/c1-22(2)31(38)36-29-6-3-5-26(21-29)23-15-19-37(20-16-23)18-4-17-35-32(39)30(24-7-11-27(33)12-8-24)25-9-13-28(34)14-10-25/h3,5-14,21-23,30H,4,15-20H2,1-2H3,(H,35,39)(H,36,38) | Reactome pathway
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM40773
(Silanediol, 17b)Show SMILES OC1Cc2ccccc2C1NC(=O)[C@H](Cc1ccccc1)C[Si](O)(O)C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 |r| Show InChI InChI=1S/C38H42N2O6Si/c41-33-21-27-15-7-9-17-31(27)35(33)39-37(43)29(19-25-11-3-1-4-12-25)23-47(45,46)24-30(20-26-13-5-2-6-14-26)38(44)40-36-32-18-10-8-16-28(32)22-34(36)42/h1-18,29-30,33-36,41-42,45-46H,19-24H2,(H,39,43)(H,40,44)/t29-,30-,33?,34?,35?,36?/m1/s1 | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
| Assay Description
Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C. |
Chem Biol 8: 1161-6 (2001)
Article DOI: 10.1016/S1074-5521(01)00079-5
BindingDB Entry DOI: 10.7270/Q20V8B63 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219025
(CHEMBL243578 | N-{3-[1-(3-{[bis(4-fluorophenyl)ace...)Show SMILES CC(C)C(=O)Nc1c(F)cc(F)c(C2CCN(CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1F Show InChI InChI=1S/C32H34F5N3O2/c1-19(2)31(41)39-30-26(36)18-25(35)28(29(30)37)22-12-16-40(17-13-22)15-3-14-38-32(42)27(20-4-8-23(33)9-5-20)21-6-10-24(34)11-7-21/h4-11,18-19,22,27H,3,12-17H2,1-2H3,(H,38,42)(H,39,41) | Reactome pathway
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219042
(CHEMBL242689 | N-[3-(1-{3-[(diphenylacetyl)amino]p...)Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C33H41N3O2/c1-24(2)32(37)35-29-16-15-25(3)30(23-29)26-17-21-36(22-18-26)20-10-19-34-33(38)31(27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23-24,26,31H,10,17-22H2,1-3H3,(H,34,38)(H,35,37) | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449331
(CHEMBL3126043)Show SMILES C[C@@H]1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:7.10,1.0,4.3,(23.3,-26.17,;22.05,-27.08,;20.58,-26.6,;19.68,-27.85,;18.14,-27.85,;17.37,-29.19,;15.83,-29.19,;15.06,-27.85,;15.83,-26.51,;17.37,-26.51,;13.52,-27.85,;12.75,-26.51,;12.75,-29.19,;11.21,-29.19,;10.44,-27.85,;8.9,-27.85,;8.13,-29.19,;8.9,-30.51,;10.44,-30.51,;6.59,-29.19,;5.82,-27.85,;4.28,-27.85,;3.51,-26.51,;3.51,-29.19,;4.28,-30.51,;3.51,-31.85,;5.82,-30.51,;20.58,-29.09,;20.11,-30.57,;22.05,-28.62,)| Show InChI InChI=1S/C22H23F2N3O3/c1-13-12-27(22(29)30-13)19-5-2-14(3-6-19)21(28)26-20-7-4-15(11-25-20)16-8-17(23)10-18(24)9-16/h4,7-11,13-14,19H,2-3,5-6,12H2,1H3,(H,25,26,28)/t13-,14-,19+/m1/s1 | KEGG
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM40774
(Carbinol, 18b)Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12)C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 |r| Show InChI InChI=1S/C39H42N2O5/c42-31(21-29(19-25-11-3-1-4-12-25)38(45)40-36-32-17-9-7-15-27(32)23-34(36)43)22-30(20-26-13-5-2-6-14-26)39(46)41-37-33-18-10-8-16-28(33)24-35(37)44/h1-18,29-31,34-37,42-44H,19-24H2,(H,40,45)(H,41,46)/t29-,30-,31?,34?,35?,36?,37?/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
| Assay Description
Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C. |
Chem Biol 8: 1161-6 (2001)
Article DOI: 10.1016/S1074-5521(01)00079-5
BindingDB Entry DOI: 10.7270/Q20V8B63 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219031
(1-(4-fluorophenyl)-N-(3-{4-[5-(isobutylamino)-2-me...)Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C2(CCCC2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C31H42FN3O2/c1-22(2)29(36)34-27-12-7-23(3)28(21-27)24-13-19-35(20-14-24)18-6-17-33-30(37)31(15-4-5-16-31)25-8-10-26(32)11-9-25/h7-12,21-22,24H,4-6,13-20H2,1-3H3,(H,33,37)(H,34,36) | Reactome pathway
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UniChem
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PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449330
(CHEMBL3126045)Show SMILES CC(C)(C)C1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:10.13,7.6,(33.32,-25.01,;31.91,-24.38,;31.75,-22.85,;33.24,-23.6,;30.67,-25.29,;29.2,-24.81,;28.29,-26.06,;26.75,-26.06,;25.98,-27.38,;24.44,-27.38,;23.67,-26.06,;24.44,-24.72,;25.98,-24.72,;22.13,-26.06,;21.36,-24.72,;21.36,-27.38,;19.82,-27.38,;19.05,-28.72,;17.51,-28.72,;16.74,-27.38,;17.51,-26.06,;19.05,-26.06,;15.2,-27.38,;14.43,-26.06,;12.89,-26.06,;12.12,-24.72,;12.12,-27.38,;12.89,-28.72,;12.12,-30.06,;14.43,-28.72,;29.2,-27.3,;28.72,-28.76,;30.67,-26.83,)| Show InChI InChI=1S/C25H29F2N3O3/c1-25(2,3)21-14-30(24(32)33-21)20-7-4-15(5-8-20)23(31)29-22-9-6-16(13-28-22)17-10-18(26)12-19(27)11-17/h6,9-13,15,20-21H,4-5,7-8,14H2,1-3H3,(H,28,29,31)/t15-,20+,21? | KEGG
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219062
(CHEMBL394569 | N-(3-{1-[4-(4-chlorophenyl)-4-oxobu...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCC(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C25H31ClN2O2/c1-18(2)25(30)27-23-6-3-5-21(17-23)19-12-15-28(16-13-19)14-4-7-24(29)20-8-10-22(26)11-9-20/h3,5-6,8-11,17-19H,4,7,12-16H2,1-2H3,(H,27,30) | Reactome pathway
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449329
(CHEMBL3126046)Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCNC2=O)nc1 |r,wU:15.15,18.22,(13.81,-25.74,;14.58,-27.07,;13.81,-28.41,;14.58,-29.74,;13.81,-31.07,;16.12,-29.74,;16.89,-28.41,;16.12,-27.07,;18.43,-28.41,;19.2,-29.74,;20.74,-29.74,;21.51,-28.41,;23.05,-28.41,;23.82,-27.07,;23.05,-25.74,;25.36,-27.07,;26.13,-28.41,;27.67,-28.41,;28.44,-27.07,;27.67,-25.74,;26.13,-25.74,;29.98,-27.07,;30.88,-28.32,;32.35,-27.84,;32.35,-26.3,;30.88,-25.82,;30.41,-24.37,;20.74,-27.07,;19.2,-27.07,)| Show InChI InChI=1S/C21H22F2N4O2/c22-16-9-15(10-17(23)11-16)14-3-6-19(25-12-14)26-20(28)13-1-4-18(5-2-13)27-8-7-24-21(27)29/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,29)(H,25,26,28)/t13-,18+ | KEGG
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449328
(CHEMBL3126047)Show SMILES CN1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:8.11,5.4,(36.9,-26.87,;35.62,-27.72,;35.55,-29.25,;34.07,-29.66,;33.22,-28.38,;31.68,-28.31,;30.86,-29.61,;29.32,-29.55,;28.61,-28.18,;29.44,-26.88,;30.97,-26.95,;27.07,-28.11,;26.36,-26.74,;26.25,-29.41,;24.71,-29.34,;23.88,-30.64,;22.35,-30.57,;21.64,-29.21,;22.47,-27.91,;24,-27.97,;20.1,-29.14,;19.39,-27.77,;17.86,-27.7,;17.15,-26.34,;17.03,-29,;17.74,-30.37,;16.91,-31.66,;19.27,-30.44,;34.18,-27.18,;33.76,-25.7,)| Show InChI InChI=1S/C22H24F2N4O2/c1-27-8-9-28(22(27)30)19-5-2-14(3-6-19)21(29)26-20-7-4-15(13-25-20)16-10-17(23)12-18(24)11-16/h4,7,10-14,19H,2-3,5-6,8-9H2,1H3,(H,25,26,29)/t14-,19+ | KEGG
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449327
(CHEMBL3126039)Show SMILES Fc1cc(F)cc(c1)-c1cnc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:15.15,18.22,(18.08,-29.04,;18.85,-27.7,;18.08,-26.37,;18.85,-25.03,;18.08,-23.7,;20.39,-25.03,;21.16,-26.37,;20.39,-27.7,;22.7,-26.37,;23.47,-25.03,;25.01,-25.03,;25.78,-26.37,;27.32,-26.37,;28.09,-27.7,;27.39,-29.08,;29.63,-27.62,;30.46,-28.91,;32,-28.84,;32.7,-27.46,;31.87,-26.17,;30.32,-26.25,;34.24,-27.38,;35.09,-26.08,;36.57,-26.49,;36.65,-28.02,;35.21,-28.58,;34.81,-30.07,;25.01,-27.7,;23.47,-27.7,)| Show InChI InChI=1S/C21H22F2N4O2/c22-16-8-14(9-17(23)10-16)15-11-24-21(25-12-15)26-20(29)13-3-5-18(6-4-13)27-7-1-2-19(27)28/h8-13,18H,1-7H2,(H,24,25,26,29)/t13-,18+ | KEGG
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PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219064
(CHEMBL245010 | N-(3-{1-[4-(4-chlorophenoxy)benzyl]...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1 Show InChI InChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-5-3-4-23(18-25)22-14-16-31(17-15-22)19-21-6-10-26(11-7-21)33-27-12-8-24(29)9-13-27/h3-13,18,20,22H,14-17,19H2,1-2H3,(H,30,32) | Reactome pathway
KEGG
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PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449326
(CHEMBL3126040)Show SMILES Fc1cc(F)cc(c1)-c1cnc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)cn1 |r,wU:15.15,18.22,(14.68,-24.91,;15.45,-23.57,;14.68,-22.24,;15.45,-20.91,;14.68,-19.58,;16.99,-20.91,;17.76,-22.24,;16.99,-23.57,;19.3,-22.24,;20.08,-23.57,;21.62,-23.57,;22.39,-22.24,;23.93,-22.24,;24.7,-23.57,;24,-24.95,;26.24,-23.5,;27.07,-24.79,;28.61,-24.71,;29.31,-23.33,;28.48,-22.04,;26.93,-22.13,;30.85,-23.26,;31.69,-21.96,;33.18,-22.36,;33.26,-23.9,;31.82,-24.46,;31.42,-25.94,;21.62,-20.91,;20.08,-20.91,)| Show InChI InChI=1S/C21H22F2N4O2/c22-15-8-14(9-16(23)10-15)18-11-25-19(12-24-18)26-21(29)13-3-5-17(6-4-13)27-7-1-2-20(27)28/h8-13,17H,1-7H2,(H,25,26,29)/t13-,17+ | KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449325
(CHEMBL3126044)Show SMILES C[C@H]1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:7.10,4.3,wD:1.0,(24.06,-26.45,;22.81,-27.35,;21.34,-26.87,;20.44,-28.12,;18.9,-28.12,;18.13,-29.45,;16.59,-29.45,;15.82,-28.12,;16.59,-26.79,;18.13,-26.79,;14.28,-28.12,;13.51,-26.79,;13.51,-29.45,;11.97,-29.45,;11.2,-28.12,;9.66,-28.12,;8.89,-29.45,;9.66,-30.79,;11.2,-30.79,;7.35,-29.45,;6.58,-28.12,;5.04,-28.12,;4.27,-26.79,;4.27,-29.45,;5.04,-30.79,;4.27,-32.12,;6.58,-30.79,;21.34,-29.37,;20.87,-30.83,;22.81,-28.89,)| Show InChI InChI=1S/C22H23F2N3O3/c1-13-12-27(22(29)30-13)19-5-2-14(3-6-19)21(28)26-20-7-4-15(11-25-20)16-8-17(23)10-18(24)9-16/h4,7-11,13-14,19H,2-3,5-6,12H2,1H3,(H,25,26,28)/t13-,14-,19+/m0/s1 | KEGG
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PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219032
(CHEMBL242902 | N-(3-{4-[3-(isobutyrylamino)phenyl]...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCNC(=O)C(C)(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C33H41N3O2/c1-25(2)31(37)35-30-17-10-12-27(24-30)26-18-22-36(23-19-26)21-11-20-34-32(38)33(3,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24-26H,11,18-23H2,1-3H3,(H,34,38)(H,35,37) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449323
(CHEMBL3126053)Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:18.22,15.15,(5.33,-14.93,;6.16,-13.64,;5.46,-12.27,;6.29,-10.97,;5.58,-9.6,;7.83,-11.04,;8.53,-12.41,;7.7,-13.71,;10.07,-12.49,;10.78,-13.86,;12.32,-13.93,;13.15,-12.63,;14.69,-12.71,;15.52,-11.41,;14.88,-10,;17.05,-11.56,;17.68,-12.97,;19.22,-13.12,;20.12,-11.88,;19.48,-10.46,;17.95,-10.32,;21.65,-12.02,;22.42,-13.36,;23.92,-13.03,;24.08,-11.5,;22.67,-10.88,;22.34,-9.37,;12.45,-11.26,;10.91,-11.19,)| Show InChI InChI=1S/C22H23F2N3O2/c23-17-10-16(11-18(24)12-17)15-5-8-20(25-13-15)26-22(29)14-3-6-19(7-4-14)27-9-1-2-21(27)28/h5,8,10-14,19H,1-4,6-7,9H2,(H,25,26,29)/t14-,19+ | KEGG
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449324
(CHEMBL3126042)Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCOC2=O)nc1 |r,wU:15.15,18.22,(16.56,-26.33,;17.33,-24.99,;16.56,-23.66,;17.33,-22.33,;16.56,-21,;18.87,-22.33,;19.64,-23.66,;18.87,-24.99,;21.18,-23.66,;21.95,-22.33,;23.49,-22.33,;24.26,-23.66,;25.8,-23.66,;26.57,-24.99,;25.8,-26.33,;28.11,-24.99,;28.88,-26.33,;30.42,-26.33,;31.19,-24.99,;30.42,-23.66,;28.88,-23.66,;32.73,-24.99,;33.63,-26.24,;35.1,-25.76,;35.1,-24.22,;33.63,-23.75,;33.15,-22.29,;23.49,-24.99,;21.95,-24.99,)| Show InChI InChI=1S/C21H21F2N3O3/c22-16-9-15(10-17(23)11-16)14-3-6-19(24-12-14)25-20(27)13-1-4-18(5-2-13)26-7-8-29-21(26)28/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,25,27)/t13-,18+ | KEGG
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219050
(CHEMBL389129 | N-(3-{1-[4-(3,4-dichlorophenoxy)ben...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)CC1 Show InChI InChI=1S/C28H30Cl2N2O2/c1-19(2)28(33)31-23-5-3-4-22(16-23)21-12-14-32(15-13-21)18-20-6-8-24(9-7-20)34-25-10-11-26(29)27(30)17-25/h3-11,16-17,19,21H,12-15,18H2,1-2H3,(H,31,33) | Reactome pathway
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| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219038
(CHEMBL243507 | N-(3-{4-[3-(isobutylrylamino)phenyl...)Show SMILES CCCCCC(C(=O)NCCCN1CCC(CC1)c1cccc(NC(=O)C(C)C)c1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C37H49N3O2/c1-4-5-12-23-37(32-16-8-6-9-17-32,33-18-10-7-11-19-33)36(42)38-24-14-25-40-26-21-30(22-27-40)31-15-13-20-34(28-31)39-35(41)29(2)3/h6-11,13,15-20,28-30H,4-5,12,14,21-27H2,1-3H3,(H,38,42)(H,39,41) | Reactome pathway
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| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449322
(CHEMBL3126048)Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCNC2=O)nc1 |r,wU:15.15,18.22,(20.67,-38.97,;21.44,-40.29,;20.68,-41.63,;21.45,-42.96,;20.69,-44.3,;22.99,-42.96,;23.75,-41.62,;22.98,-40.29,;25.29,-41.61,;26.07,-42.95,;27.6,-42.94,;28.37,-41.6,;29.91,-41.6,;30.67,-40.26,;29.9,-38.94,;32.22,-40.25,;32.99,-41.59,;34.53,-41.58,;35.29,-40.24,;34.52,-38.92,;32.98,-38.92,;36.83,-40.24,;37.6,-41.57,;39.14,-41.56,;39.91,-40.23,;39.13,-38.9,;37.6,-38.91,;36.82,-37.58,;27.6,-40.27,;26.06,-40.28,)| Show InChI InChI=1S/C22H24F2N4O2/c23-17-10-16(11-18(24)12-17)15-4-7-20(26-13-15)27-21(29)14-2-5-19(6-3-14)28-9-1-8-25-22(28)30/h4,7,10-14,19H,1-3,5-6,8-9H2,(H,25,30)(H,26,27,29)/t14-,19+ | KEGG
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449321
(CHEMBL3126052)Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCN(C3CC3)C2=O)nc1 |r,wU:15.15,18.22,(10.52,-42.21,;11.28,-43.54,;10.49,-44.87,;11.25,-46.21,;10.46,-47.53,;12.79,-46.23,;13.57,-44.9,;12.82,-43.56,;15.11,-44.92,;15.87,-46.27,;17.41,-46.28,;18.19,-44.96,;19.73,-44.98,;20.52,-43.65,;19.76,-42.31,;22.06,-43.67,;22.81,-45.01,;24.35,-45.03,;25.14,-43.7,;24.38,-42.36,;22.84,-42.35,;26.68,-43.72,;27.57,-44.98,;29.04,-44.52,;29.05,-42.98,;30.31,-42.08,;30.95,-40.69,;31.84,-41.94,;27.59,-42.49,;27.14,-41.02,;17.44,-43.61,;15.9,-43.6,)| Show InChI InChI=1S/C24H26F2N4O2/c25-18-11-17(12-19(26)13-18)16-3-8-22(27-14-16)28-23(31)15-1-4-20(5-2-15)29-9-10-30(24(29)32)21-6-7-21/h3,8,11-15,20-21H,1-2,4-7,9-10H2,(H,27,28,31)/t15-,20+ | KEGG
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219043
((2S)-2-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamin...)Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@@H](C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H38FN3O2/c1-19(2)27(33)31-25-11-6-20(3)26(18-25)23-12-16-32(17-13-23)15-5-14-30-28(34)21(4)22-7-9-24(29)10-8-22/h6-11,18-19,21,23H,5,12-17H2,1-4H3,(H,30,34)(H,31,33)/t21-/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 |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449320
(CHEMBL3126050)Show SMILES CCN1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:9.12,6.5,(35.65,-39.74,;34.26,-39.09,;33,-39.97,;32.97,-41.51,;31.5,-41.95,;30.61,-40.69,;29.07,-40.67,;28.27,-41.99,;26.73,-41.96,;25.99,-40.61,;26.78,-39.29,;28.32,-39.31,;24.45,-40.58,;23.7,-39.23,;23.65,-41.9,;22.11,-41.87,;21.32,-43.18,;19.78,-43.15,;19.03,-41.81,;19.83,-40.49,;21.37,-40.52,;17.49,-41.78,;16.75,-40.43,;15.21,-40.4,;14.47,-39.05,;14.41,-41.72,;15.16,-43.07,;14.36,-44.39,;16.7,-43.1,;31.54,-39.46,;31.09,-38,)| Show InChI InChI=1S/C23H26F2N4O2/c1-2-28-9-10-29(23(28)31)20-6-3-15(4-7-20)22(30)27-21-8-5-16(14-26-21)17-11-18(24)13-19(25)12-17/h5,8,11-15,20H,2-4,6-7,9-10H2,1H3,(H,26,27,30)/t15-,20+ | KEGG
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219054
(2-methyl-N-{3-[1-(4-phenoxybenzyl)-4-piperidinyl]p...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C28H32N2O2/c1-21(2)28(31)29-25-8-6-7-24(19-25)23-15-17-30(18-16-23)20-22-11-13-27(14-12-22)32-26-9-4-3-5-10-26/h3-14,19,21,23H,15-18,20H2,1-2H3,(H,29,31) | Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50449319
(CHEMBL3126049)Show SMILES CN1CCCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:9.12,6.5,(29.98,-38.65,;29.2,-39.98,;29.96,-41.32,;29.19,-42.65,;27.65,-42.65,;26.88,-41.31,;25.34,-41.3,;24.57,-42.63,;23.03,-42.62,;22.26,-41.28,;23.04,-39.95,;24.58,-39.96,;20.72,-41.28,;19.96,-39.94,;19.95,-42.61,;18.41,-42.6,;17.63,-43.93,;16.09,-43.92,;15.33,-42.59,;16.1,-41.25,;17.64,-41.26,;13.79,-42.58,;13.02,-41.24,;11.48,-41.23,;10.72,-39.89,;10.71,-42.56,;11.47,-43.9,;10.7,-45.23,;13.01,-43.9,;27.66,-39.97,;26.9,-38.63,)| Show InChI InChI=1S/C23H26F2N4O2/c1-28-9-2-10-29(23(28)31)20-6-3-15(4-7-20)22(30)27-21-8-5-16(14-26-21)17-11-18(24)13-19(25)12-17/h5,8,11-15,20H,2-4,6-7,9-10H2,1H3,(H,26,27,30)/t15-,20+ | KEGG
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting |
Bioorg Med Chem Lett 24: 1458-61 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219041
(CHEMBL242901 | N-{3-[4-(3-isobutyrylamino-phenyl)-...)Show SMILES CCC(C(=O)NCCCN1CCC(CC1)c1cccc(NC(=O)C(C)C)c1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H43N3O2/c1-4-34(29-14-7-5-8-15-29,30-16-9-6-10-17-30)33(39)35-21-12-22-37-23-19-27(20-24-37)28-13-11-18-31(25-28)36-32(38)26(2)3/h5-11,13-18,25-27H,4,12,19-24H2,1-3H3,(H,35,39)(H,36,38) | Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219055
(CHEMBL244791 | N-(3-{1-[3-(3,4-dichlorophenoxy)ben...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3ccc(Cl)c(Cl)c3)c2)CC1 Show InChI InChI=1S/C28H30Cl2N2O2/c1-19(2)28(33)31-23-7-4-6-22(16-23)21-11-13-32(14-12-21)18-20-5-3-8-24(15-20)34-25-9-10-26(29)27(30)17-25/h3-10,15-17,19,21H,11-14,18H2,1-2H3,(H,31,33) | Reactome pathway
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219066
(CHEMBL244578 | N-(3-{1-[3-(4-chlorophenoxy)benzyl]...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 Show InChI InChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-7-4-6-23(18-25)22-13-15-31(16-14-22)19-21-5-3-8-27(17-21)33-26-11-9-24(29)10-12-26/h3-12,17-18,20,22H,13-16,19H2,1-2H3,(H,30,32) | Reactome pathway
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219045
(CHEMBL242003 | N-(5-{1-[4-(3,4-difluorophenoxy)ben...)Show SMILES CC(C)C(=O)Nc1cc(ccc1C)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 Show InChI InChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-28-16-23(7-4-20(28)3)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-26(30)27(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34) | Reactome pathway
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219063
(2-methyl-N-{3-[1-(3-phenoxybenzyl)-4-piperidinyl]p...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C28H32N2O2/c1-21(2)28(31)29-25-10-7-9-24(19-25)23-14-16-30(17-15-23)20-22-8-6-13-27(18-22)32-26-11-4-3-5-12-26/h3-13,18-19,21,23H,14-17,20H2,1-2H3,(H,29,31) | Reactome pathway
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PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219039
((2R)-2-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamin...)Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@H](C)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H38FN3O2/c1-19(2)27(33)31-25-11-6-20(3)26(18-25)23-12-16-32(17-13-23)15-5-14-30-28(34)21(4)22-7-9-24(29)10-8-22/h6-11,18-19,21,23H,5,12-17H2,1-4H3,(H,30,34)(H,31,33)/t21-/m1/s1 | Reactome pathway
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219034
(CHEMBL243129 | N-{3-[1-(6-diphenylacetylamino-hexy...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCCCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C35H45N3O2/c1-27(2)34(39)37-32-19-13-18-31(26-32)28-20-24-38(25-21-28)23-12-4-3-11-22-36-35(40)33(29-14-7-5-8-15-29)30-16-9-6-10-17-30/h5-10,13-19,26-28,33H,3-4,11-12,20-25H2,1-2H3,(H,36,40)(H,37,39) | Reactome pathway
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219065
(2-methyl-N-(3-{1-[3-(4-methylphenoxy)benzyl]-4-pip...)Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3ccc(C)cc3)c2)CC1 Show InChI InChI=1S/C29H34N2O2/c1-21(2)29(32)30-26-8-5-7-25(19-26)24-14-16-31(17-15-24)20-23-6-4-9-28(18-23)33-27-12-10-22(3)11-13-27/h4-13,18-19,21,24H,14-17,20H2,1-3H3,(H,30,32) | Reactome pathway
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219024
(2-methyl-N-{4-methyl-3-[1-(3-{[(2R)-2-phenylpropan...)Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@@H](C)c2ccccc2)CC1 Show InChI InChI=1S/C28H39N3O2/c1-20(2)27(32)30-25-12-11-21(3)26(19-25)24-13-17-31(18-14-24)16-8-15-29-28(33)22(4)23-9-6-5-7-10-23/h5-7,9-12,19-20,22,24H,8,13-18H2,1-4H3,(H,29,33)(H,30,32)/t22-/m0/s1 | Reactome pathway
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219051
(CHEMBL245229 | N-(3-{1-[4-(4-methoxyphenoxy)benzyl...)Show SMILES COc1ccc(Oc2ccc(CN3CCC(CC3)c3cccc(NC(=O)C(C)C)c3)cc2)cc1 Show InChI InChI=1S/C29H34N2O3/c1-21(2)29(32)30-25-6-4-5-24(19-25)23-15-17-31(18-16-23)20-22-7-9-27(10-8-22)34-28-13-11-26(33-3)12-14-28/h4-14,19,21,23H,15-18,20H2,1-3H3,(H,30,32) | Reactome pathway
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor |
J Med Chem 50: 3883-90 (2007)
Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50219028
(2-methyl-N-{4-methyl-3-[1-(3-{[(2S)-2-phenylpropan...)Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@H](C)c2ccccc2)CC1 Show InChI InChI=1S/C28H39N3O2/c1-20(2)27(32)30-25-12-11-21(3)26(19-25)24-13-17-31(18-14-24)16-8-15-29-28(33)22(4)23-9-6-5-7-10-23/h5-7,9-12,19-20,22,24H,8,13-18H2,1-4H3,(H,29,33)(H,30,32)/t22-/m1/s1 | Reactome pathway
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells |
J Med Chem 50: 3870-82 (2007)
Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM |
More data for this
Ligand-Target Pair | |
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