Found 222 hits with Last Name = 'baumgartner' and Initial = 'j' 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)) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Activity at human MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Activity at rat MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Activity at mouse MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50223719
(CHEMBL3348530)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(O)=O |wU:22.22,58.61,36.38,4.3,wD:9.8,18.72,47.49,(-2.84,-13.67,;-1.44,-13.06,;-.19,-13.98,;1.22,-13.36,;2.45,-14.28,;2.29,-15.82,;3.87,-13.67,;5.11,-14.58,;4.05,-12.14,;5.46,-11.52,;6.26,-12.84,;7.39,-13.9,;6.5,-15.16,;8.75,-14.6,;10.25,-14.91,;11.79,-14.81,;13.26,-14.29,;14.51,-13.41,;15.48,-12.21,;16.1,-10.8,;16.3,-9.27,;17.84,-9.27,;16.1,-7.75,;17.58,-7.33,;18.66,-6.24,;18.4,-4.7,;19.77,-3.99,;20.87,-5.08,;22.4,-4.98,;23.27,-6.26,;22.57,-7.64,;21.03,-7.74,;20.17,-6.46,;15.48,-6.34,;14.51,-5.13,;15.56,-4.01,;13.26,-4.25,;13.95,-2.87,;15.49,-2.82,;16.21,-1.44,;17.75,-1.37,;18.45,-.01,;19.98,.06,;17.62,1.3,;11.79,-3.73,;10.25,-3.63,;10.16,-2.1,;8.75,-3.94,;8.23,-2.49,;9.23,-1.31,;10.76,-1.59,;11.76,-.43,;11.23,1.02,;9.72,1.3,;8.72,.13,;7.39,-4.66,;6.26,-5.7,;5.06,-4.73,;5.46,-7.02,;4.05,-6.4,;3.87,-4.87,;5.01,-3.84,;4.36,-2.43,;2.84,-2.61,;2.54,-4.11,;5.04,-8.51,;5.04,-10.04,;3.52,-10.25,;16.79,-13.01,;18.14,-12.28,;16.76,-14.55,)| Show InChI InChI=1S/C48H66N14O9/c1-2-3-15-32(49)41(64)59-39-24-40(63)53-19-10-9-17-35(47(70)71)58-44(67)37(22-29-25-55-33-16-8-7-14-31(29)33)61-42(65)34(18-11-20-54-48(50)51)57-43(66)36(21-28-12-5-4-6-13-28)60-45(68)38(62-46(39)69)23-30-26-52-27-56-30/h4-8,12-14,16,25-27,32,34-39,55H,2-3,9-11,15,17-24,49H2,1H3,(H,52,56)(H,53,63)(H,57,66)(H,58,67)(H,59,64)(H,60,68)(H,61,65)(H,62,69)(H,70,71)(H4,50,51,54)/t32-,34-,35-,36+,37-,38-,39-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Intracellular level of cAMP in cells expressing the melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192528
(1-(2-(4-fluoro-3-methylphenoxy)-5-((2-(pyrrolidin-...)Show SMILES Cc1cc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)ccc1F Show InChI InChI=1S/C27H28F2N4O3/c1-18-15-22(8-9-23(18)29)36-25-10-7-19(26(34)30-11-14-33-12-2-3-13-33)16-24(25)32-27(35)31-21-6-4-5-20(28)17-21/h4-10,15-17H,2-3,11-14H2,1H3,(H,30,34)(H2,31,32,35) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138293
((S)-2-(4-Chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-m...)Show SMILES CC(C)(C)CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O Show InChI InChI=1S/C36H50ClN5O5S/c1-36(2,3)25-34(44)40-19-17-39(18-20-40)33(43)24-29(23-27-11-13-30(37)14-12-27)35(45)41-21-15-38(16-22-41)31-7-5-6-8-32(31)42(48(4,46)47)26-28-9-10-28/h5-8,11-14,28-29H,9-10,15-26H2,1-4H3/t29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Intracellular level of cAMP in cells expressing the melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192536
(1-(2-(3,4-difluorophenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Fc1cccc(NC(=O)Nc2cc(ccc2Oc2ccc(F)c(F)c2)C(=O)NCCN2CCCC2)c1 Show InChI InChI=1S/C26H25F3N4O3/c27-18-4-3-5-19(15-18)31-26(35)32-23-14-17(25(34)30-10-13-33-11-1-2-12-33)6-9-24(23)36-20-7-8-21(28)22(29)16-20/h3-9,14-16H,1-2,10-13H2,(H,30,34)(H2,31,32,35) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138288
(4-((S)-3-(4-Chloro-benzyl)-4-{4-[2-(2-cyclopropyl-...)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O Show InChI InChI=1S/C33H44ClN5O6S/c1-3-45-33(42)38-20-16-36(17-21-38)31(40)23-27(22-25-10-12-28(34)13-11-25)32(41)37-18-14-35(15-19-37)29-6-4-5-7-30(29)39(46(2,43)44)24-26-8-9-26/h4-7,10-13,26-27H,3,8-9,14-24H2,1-2H3/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50223719
(CHEMBL3348530)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(O)=O |wU:22.22,58.61,36.38,4.3,wD:9.8,18.72,47.49,(-2.84,-13.67,;-1.44,-13.06,;-.19,-13.98,;1.22,-13.36,;2.45,-14.28,;2.29,-15.82,;3.87,-13.67,;5.11,-14.58,;4.05,-12.14,;5.46,-11.52,;6.26,-12.84,;7.39,-13.9,;6.5,-15.16,;8.75,-14.6,;10.25,-14.91,;11.79,-14.81,;13.26,-14.29,;14.51,-13.41,;15.48,-12.21,;16.1,-10.8,;16.3,-9.27,;17.84,-9.27,;16.1,-7.75,;17.58,-7.33,;18.66,-6.24,;18.4,-4.7,;19.77,-3.99,;20.87,-5.08,;22.4,-4.98,;23.27,-6.26,;22.57,-7.64,;21.03,-7.74,;20.17,-6.46,;15.48,-6.34,;14.51,-5.13,;15.56,-4.01,;13.26,-4.25,;13.95,-2.87,;15.49,-2.82,;16.21,-1.44,;17.75,-1.37,;18.45,-.01,;19.98,.06,;17.62,1.3,;11.79,-3.73,;10.25,-3.63,;10.16,-2.1,;8.75,-3.94,;8.23,-2.49,;9.23,-1.31,;10.76,-1.59,;11.76,-.43,;11.23,1.02,;9.72,1.3,;8.72,.13,;7.39,-4.66,;6.26,-5.7,;5.06,-4.73,;5.46,-7.02,;4.05,-6.4,;3.87,-4.87,;5.01,-3.84,;4.36,-2.43,;2.84,-2.61,;2.54,-4.11,;5.04,-8.51,;5.04,-10.04,;3.52,-10.25,;16.79,-13.01,;18.14,-12.28,;16.76,-14.55,)| Show InChI InChI=1S/C48H66N14O9/c1-2-3-15-32(49)41(64)59-39-24-40(63)53-19-10-9-17-35(47(70)71)58-44(67)37(22-29-25-55-33-16-8-7-14-31(29)33)61-42(65)34(18-11-20-54-48(50)51)57-43(66)36(21-28-12-5-4-6-13-28)60-45(68)38(62-46(39)69)23-30-26-52-27-56-30/h4-8,12-14,16,25-27,32,34-39,55H,2-3,9-11,15,17-24,49H2,1H3,(H,52,56)(H,53,63)(H,57,66)(H,58,67)(H,59,64)(H,60,68)(H,61,65)(H,62,69)(H,70,71)(H4,50,51,54)/t32-,34-,35-,36+,37-,38-,39-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192521
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H31FN4O3/c1-19-8-10-24(16-20(19)2)36-26-11-9-21(27(34)30-12-15-33-13-3-4-14-33)17-25(26)32-28(35)31-23-7-5-6-22(29)18-23/h5-11,16-18H,3-4,12-15H2,1-2H3,(H,30,34)(H2,31,32,35) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192535
(1-(5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)-2-(m-to...)Show SMILES Cc1cccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)c1 Show InChI InChI=1S/C27H29FN4O3/c1-19-6-4-9-23(16-19)35-25-11-10-20(26(33)29-12-15-32-13-2-3-14-32)17-24(25)31-27(34)30-22-8-5-7-21(28)18-22/h4-11,16-18H,2-3,12-15H2,1H3,(H,29,33)(H2,30,31,34) | Reactome pathway
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192534
(1-(5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)-2-(p-to...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)cc1 Show InChI InChI=1S/C27H29FN4O3/c1-19-7-10-23(11-8-19)35-25-12-9-20(26(33)29-13-16-32-14-2-3-15-32)17-24(25)31-27(34)30-22-6-4-5-21(28)18-22/h4-12,17-18H,2-3,13-16H2,1H3,(H,29,33)(H2,30,31,34) | Reactome pathway
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138301
(4-[(S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phen...)Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccc(Cl)cc1)C(C)=O Show InChI InChI=1S/C36H50ClN5O5/c1-7-42(27(3)43)26(2)31-10-8-9-11-32(31)38-16-20-40(21-17-38)34(45)29(24-28-12-14-30(37)15-13-28)25-33(44)39-18-22-41(23-19-39)35(46)47-36(4,5)6/h8-15,26,29H,7,16-25H2,1-6H3/t26?,29-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138290
((S)-2-(4-Chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-m...)Show SMILES CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC2CC2)CC1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C34H46ClN5O4S/c1-45(43,44)40(25-28-8-9-28)32-5-3-2-4-31(32)37-18-20-39(21-19-37)34(42)29(22-26-10-12-30(35)13-11-26)23-33(41)38-16-14-36(15-17-38)24-27-6-7-27/h2-5,10-13,27-29H,6-9,14-25H2,1H3/t29-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50130009
((4S,15R,18S,21S,24S)-5-((S)-2-Acetylamino-hexanoyl...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O Show InChI InChI=1S/C49H69N13O9/c1-3-4-17-35(56-29(2)63)43(66)61-39-27-41(64)53-22-11-10-19-34(42(50)65)57-46(69)38(26-31-28-55-33-18-9-8-16-32(31)33)59-44(67)36(20-12-23-54-49(51)52)58-45(68)37(25-30-14-6-5-7-15-30)60-47(70)40-21-13-24-62(40)48(39)71/h5-9,14-16,18,28,34-40,55H,3-4,10-13,17,19-27H2,1-2H3,(H2,50,65)(H,53,64)(H,56,63)(H,57,69)(H,58,68)(H,59,67)(H,60,70)(H,61,66)(H4,51,52,54)/t34-,35+,36+,37+,38-,39+,40+/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R) using [125I]NDP-alpha-MSH as radioligand |
Bioorg Med Chem Lett 13: 2337-40 (2003)
BindingDB Entry DOI: 10.7270/Q21G0MTZ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192521
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H31FN4O3/c1-19-8-10-24(16-20(19)2)36-26-11-9-21(27(34)30-12-15-33-13-3-4-14-33)17-25(26)32-28(35)31-23-7-5-6-22(29)18-23/h5-11,16-18H,3-4,12-15H2,1-2H3,(H,30,34)(H2,31,32,35) | Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138294
(4-((S)-3-(4-Chloro-benzyl)-4-{4-[2-(2-cyclopropyl-...)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O Show InChI InChI=1S/C35H48ClN5O6S/c1-35(2,3)47-34(44)40-21-17-38(18-22-40)32(42)24-28(23-26-11-13-29(36)14-12-26)33(43)39-19-15-37(16-20-39)30-7-5-6-8-31(30)41(48(4,45)46)25-27-9-10-27/h5-8,11-14,27-28H,9-10,15-25H2,1-4H3/t28-/m0/s1 | PDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138303
((S)-4-(4-Benzoyl-piperazin-1-yl)-2-(4-chloro-benzy...)Show SMILES CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC1)C(=O)c1ccccc1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C37H44ClN5O5S/c1-49(47,48)43(27-29-11-12-29)34-10-6-5-9-33(34)39-17-21-42(22-18-39)37(46)31(25-28-13-15-32(38)16-14-28)26-35(44)40-19-23-41(24-20-40)36(45)30-7-3-2-4-8-30/h2-10,13-16,29,31H,11-12,17-27H2,1H3/t31-/m0/s1 | PDB
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| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138305
((S)-2-(4-Chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-m...)Show SMILES CC(C)CCN1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O Show InChI InChI=1S/C35H50ClN5O4S/c1-27(2)14-15-37-16-18-39(19-17-37)34(42)25-30(24-28-10-12-31(36)13-11-28)35(43)40-22-20-38(21-23-40)32-6-4-5-7-33(32)41(46(3,44)45)26-29-8-9-29/h4-7,10-13,27,29-30H,8-9,14-26H2,1-3H3/t30-/m0/s1 | PDB
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| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192522
(1-(4-bromophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((2...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Br)cc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H31BrN4O3/c1-19-5-11-24(17-20(19)2)36-26-12-6-21(27(34)30-13-16-33-14-3-4-15-33)18-25(26)32-28(35)31-23-9-7-22(29)8-10-23/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,30,34)(H2,31,32,35) | Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138296
((S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}...)Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NC1CCC1)Cc1ccc(Cl)cc1)C(C)=O Show InChI InChI=1S/C31H41ClN4O3/c1-4-36(23(3)37)22(2)28-10-5-6-11-29(28)34-16-18-35(19-17-34)31(39)25(20-24-12-14-26(32)15-13-24)21-30(38)33-27-8-7-9-27/h5-6,10-15,22,25,27H,4,7-9,16-21H2,1-3H3,(H,33,38)/t22?,25-/m0/s1 | PDB
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| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human melanocortin 3 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192528
(1-(2-(4-fluoro-3-methylphenoxy)-5-((2-(pyrrolidin-...)Show SMILES Cc1cc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)ccc1F Show InChI InChI=1S/C27H28F2N4O3/c1-18-15-22(8-9-23(18)29)36-25-10-7-19(26(34)30-11-14-33-12-2-3-13-33)16-24(25)32-27(35)31-21-6-4-5-20(28)17-21/h4-10,15-17H,2-3,11-14H2,1H3,(H,30,34)(H2,31,32,35) | Reactome pathway
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192535
(1-(5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)-2-(m-to...)Show SMILES Cc1cccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)c1 Show InChI InChI=1S/C27H29FN4O3/c1-19-6-4-9-23(16-19)35-25-11-10-20(26(33)29-12-15-32-13-2-3-14-32)17-24(25)31-27(34)30-22-8-5-7-21(28)18-22/h4-11,16-18H,2-3,12-15H2,1H3,(H,29,33)(H2,30,31,34) | Reactome pathway
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50192531
(1-(2-chlorophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2Cl)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H31ClN4O3/c1-19-9-11-22(17-20(19)2)36-26-12-10-21(27(34)30-13-16-33-14-5-6-15-33)18-25(26)32-28(35)31-24-8-4-3-7-23(24)29/h3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H,30,34)(H2,31,32,35) | Reactome pathway
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192518
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34) | Reactome pathway
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50130014
((R)-2-Acetylamino-N-(4-{acetyl-[2-(1H-indol-3-yl)-...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |wD:4.3,(14.52,1.42,;13.19,.63,;13.2,-.91,;11.84,1.39,;10.51,.61,;10.53,-.94,;11.29,-2.27,;12.81,-2.27,;13.57,-3.59,;12.8,-4.92,;11.27,-4.91,;10.51,-3.59,;9.17,1.37,;9.15,2.91,;7.84,.58,;6.5,1.35,;6.48,2.89,;5.14,3.64,;5.13,5.18,;3.77,5.94,;2.46,5.16,;1.11,5.93,;2.46,3.62,;7.86,-.97,;7.09,-2.32,;5.36,-1.71,;4.19,-2.13,;4.94,-.77,;6.58,-1.39,;2.85,-1.36,;1.52,-2.13,;1.5,-3.67,;.17,-4.43,;-1.24,-3.8,;-2.28,-4.94,;-1.51,-6.27,;-1.99,-7.72,;-.97,-8.88,;.55,-8.57,;1.01,-7.11,;,-5.97,;2.85,.19,;1.52,.96,;4.19,.96,)| Show InChI InChI=1S/C34H47N7O3/c1-24(42)39-32(22-26-10-4-3-5-11-26)33(44)41(20-9-8-19-37-34(35)36)29-16-14-28(15-17-29)40(25(2)43)21-18-27-23-38-31-13-7-6-12-30(27)31/h3-7,10-13,23,28-29,32,38H,8-9,14-22H2,1-2H3,(H,39,42)(H4,35,36,37)/t28?,29?,32-/m1/s1 | PDB
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| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R) using [125I]NDP-alpha-MSH as radioligand |
Bioorg Med Chem Lett 13: 2337-40 (2003)
BindingDB Entry DOI: 10.7270/Q21G0MTZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138292
((S)-2-(4-Chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-m...)Show SMILES CCCN1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O Show InChI InChI=1S/C33H46ClN5O4S/c1-3-14-35-15-17-37(18-16-35)32(40)24-28(23-26-10-12-29(34)13-11-26)33(41)38-21-19-36(20-22-38)30-6-4-5-7-31(30)39(44(2,42)43)25-27-8-9-27/h4-7,10-13,27-28H,3,8-9,14-25H2,1-2H3/t28-/m0/s1 | PDB
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| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192516
(1-(2-(3-fluorophenoxy)-5-((2-(pyrrolidin-1-yl)ethy...)Show SMILES Fc1cccc(NC(=O)Nc2cc(ccc2Oc2cccc(F)c2)C(=O)NCCN2CCCC2)c1 Show InChI InChI=1S/C26H26F2N4O3/c27-19-5-3-7-21(16-19)30-26(34)31-23-15-18(25(33)29-11-14-32-12-1-2-13-32)9-10-24(23)35-22-8-4-6-20(28)17-22/h3-10,15-17H,1-2,11-14H2,(H,29,33)(H2,30,31,34) | Reactome pathway
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138302
(CHEMBL125079 | N-[1-(2-{4-[(S)-2-(4-Chloro-benzyl)...)Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCSC1)Cc1ccc(Cl)cc1)C(C)=O Show InChI InChI=1S/C30H39ClN4O3S/c1-4-35(23(3)36)22(2)27-7-5-6-8-28(27)32-13-15-33(16-14-32)30(38)25(19-24-9-11-26(31)12-10-24)20-29(37)34-17-18-39-21-34/h5-12,22,25H,4,13-21H2,1-3H3/t22?,25-/m0/s1 | PDB
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| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138291
((S)-2-(4-Chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-m...)Show SMILES CCN1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O Show InChI InChI=1S/C32H44ClN5O4S/c1-3-34-14-16-36(17-15-34)31(39)23-27(22-25-10-12-28(33)13-11-25)32(40)37-20-18-35(19-21-37)29-6-4-5-7-30(29)38(43(2,41)42)24-26-8-9-26/h4-7,10-13,26-27H,3,8-9,14-24H2,1-2H3/t27-/m0/s1 | PDB
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| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192522
(1-(4-bromophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((2...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Br)cc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H31BrN4O3/c1-19-5-11-24(17-20(19)2)36-26-12-6-21(27(34)30-13-16-33-14-3-4-15-33)18-25(26)32-28(35)31-23-9-7-22(29)8-10-23/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,30,34)(H2,31,32,35) | Reactome pathway
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138299
((S)-4-(4-Acetyl-piperazin-1-yl)-2-(4-chloro-benzyl...)Show SMILES CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O Show InChI InChI=1S/C32H42ClN5O5S/c1-24(39)34-13-17-36(18-14-34)31(40)22-27(21-25-9-11-28(33)12-10-25)32(41)37-19-15-35(16-20-37)29-5-3-4-6-30(29)38(44(2,42)43)23-26-7-8-26/h3-6,9-12,26-27H,7-8,13-23H2,1-2H3/t27-/m0/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138304
((S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}...)Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NCc1ccccc1F)Cc1ccc(Cl)cc1)C(C)=O Show InChI InChI=1S/C34H40ClFN4O3/c1-4-40(25(3)41)24(2)30-10-6-8-12-32(30)38-17-19-39(20-18-38)34(43)28(21-26-13-15-29(35)16-14-26)22-33(42)37-23-27-9-5-7-11-31(27)36/h5-16,24,28H,4,17-23H2,1-3H3,(H,37,42)/t24?,28-/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192531
(1-(2-chlorophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2Cl)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H31ClN4O3/c1-19-9-11-22(17-20(19)2)36-26-12-10-21(27(34)30-13-16-33-14-5-6-15-33)18-25(26)32-28(35)31-24-8-4-3-7-23(24)29/h3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H,30,34)(H2,31,32,35) | Reactome pathway
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192531
(1-(2-chlorophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2Cl)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H31ClN4O3/c1-19-9-11-22(17-20(19)2)36-26-12-10-21(27(34)30-13-16-33-14-5-6-15-33)18-25(26)32-28(35)31-24-8-4-3-7-23(24)29/h3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H,30,34)(H2,31,32,35) | Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138300
(CHEMBL127861 | N-[1-(2-{4-[(S)-4-Azetidin-1-yl-2-(...)Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCC1)Cc1ccc(Cl)cc1)C(C)=O Show InChI InChI=1S/C30H39ClN4O3/c1-4-35(23(3)36)22(2)27-8-5-6-9-28(27)32-16-18-34(19-17-32)30(38)25(21-29(37)33-14-7-15-33)20-24-10-12-26(31)13-11-24/h5-6,8-13,22,25H,4,7,14-21H2,1-3H3/t22?,25-/m0/s1 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50130009
((4S,15R,18S,21S,24S)-5-((S)-2-Acetylamino-hexanoyl...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O Show InChI InChI=1S/C49H69N13O9/c1-3-4-17-35(56-29(2)63)43(66)61-39-27-41(64)53-22-11-10-19-34(42(50)65)57-46(69)38(26-31-28-55-33-18-9-8-16-32(31)33)59-44(67)36(20-12-23-54-49(51)52)58-45(68)37(25-30-14-6-5-7-15-30)60-47(70)40-21-13-24-62(40)48(39)71/h5-9,14-16,18,28,34-40,55H,3-4,10-13,17,19-27H2,1-2H3,(H2,50,65)(H,53,64)(H,56,63)(H,57,69)(H,58,68)(H,59,67)(H,60,70)(H,61,66)(H4,51,52,54)/t34-,35+,36+,37+,38-,39+,40+/m1/s1 | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin 3 receptor (hMC3R) using [125I]NDP-alpha-MSH as radioligand |
Bioorg Med Chem Lett 13: 2337-40 (2003)
BindingDB Entry DOI: 10.7270/Q21G0MTZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50162714
((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CCCN(c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1)S(C)(=O)=O Show InChI InChI=1S/C33H40ClN5O4S/c1-3-16-39(44(2,42)43)31-11-7-6-10-30(31)37-17-19-38(20-18-37)33(41)29(21-24-12-14-27(34)15-13-24)36-32(40)28-22-25-8-4-5-9-26(25)23-35-28/h4-15,28-29,35H,3,16-23H2,1-2H3,(H,36,40)/t28-,29+/m0/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against melanocortin 4 receptor using [125I]NDP-MSH as radioligand |
Bioorg Med Chem Lett 15: 1623-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.060
BindingDB Entry DOI: 10.7270/Q2DV1JCW |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192536
(1-(2-(3,4-difluorophenoxy)-5-((2-(pyrrolidin-1-yl)...)Show SMILES Fc1cccc(NC(=O)Nc2cc(ccc2Oc2ccc(F)c(F)c2)C(=O)NCCN2CCCC2)c1 Show InChI InChI=1S/C26H25F3N4O3/c27-18-4-3-5-19(15-18)31-26(35)32-23-14-17(25(34)30-10-13-33-11-1-2-12-33)6-9-24(23)36-20-7-8-21(28)22(29)16-20/h3-9,14-16H,1-2,10-13H2,(H,30,34)(H2,31,32,35) | Reactome pathway
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50192522
(1-(4-bromophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((2...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Br)cc2)C(=O)NCCN2CCCC2)cc1C Show InChI InChI=1S/C28H31BrN4O3/c1-19-5-11-24(17-20(19)2)36-26-12-6-21(27(34)30-13-16-33-14-3-4-15-33)18-25(26)32-28(35)31-23-9-7-22(29)8-10-23/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,30,34)(H2,31,32,35) | Reactome pathway
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50162718
(CHEMBL180635 | Quinoline-6-carboxylic acid ((R)-1-...)Show SMILES CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C34H36ClN5O4S/c1-45(43,44)40(23-25-8-9-25)32-7-3-2-6-31(32)38-17-19-39(20-18-38)34(42)30(21-24-10-13-28(35)14-11-24)37-33(41)27-12-15-29-26(22-27)5-4-16-36-29/h2-7,10-16,22,25,30H,8-9,17-21,23H2,1H3,(H,37,41)/t30-/m1/s1 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against melanocortin 4 receptor using [125I]NDP-MSH as radioligand |
Bioorg Med Chem Lett 15: 1623-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.060
BindingDB Entry DOI: 10.7270/Q2DV1JCW |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138297
((S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}...)Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NCc1ccccn1)Cc1ccc(Cl)cc1)C(C)=O Show InChI InChI=1S/C33H40ClN5O3/c1-4-39(25(3)40)24(2)30-10-5-6-11-31(30)37-17-19-38(20-18-37)33(42)27(21-26-12-14-28(34)15-13-26)22-32(41)36-23-29-9-7-8-16-35-29/h5-16,24,27H,4,17-23H2,1-3H3,(H,36,41)/t24?,27-/m0/s1 | PDB
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192534
(1-(5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)-2-(p-to...)Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)cc1 Show InChI InChI=1S/C27H29FN4O3/c1-19-7-10-23(11-8-19)35-25-12-9-20(26(33)29-13-16-32-14-2-3-15-32)17-24(25)31-27(34)30-22-6-4-5-21(28)18-22/h4-12,17-18H,2-3,13-16H2,1H3,(H,29,33)(H2,30,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50162722
((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CS(=O)(=O)N(CCN)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C32H39ClN6O4S/c1-44(42,43)39(15-14-34)30-9-5-4-8-29(30)37-16-18-38(19-17-37)32(41)28(20-23-10-12-26(33)13-11-23)36-31(40)27-21-24-6-2-3-7-25(24)22-35-27/h2-13,27-28,35H,14-22,34H2,1H3,(H,36,40)/t27-,28+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against melanocortin 4 receptor using [125I]NDP-MSH as radioligand |
Bioorg Med Chem Lett 15: 1623-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.060
BindingDB Entry DOI: 10.7270/Q2DV1JCW |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192516
(1-(2-(3-fluorophenoxy)-5-((2-(pyrrolidin-1-yl)ethy...)Show SMILES Fc1cccc(NC(=O)Nc2cc(ccc2Oc2cccc(F)c2)C(=O)NCCN2CCCC2)c1 Show InChI InChI=1S/C26H26F2N4O3/c27-19-5-3-7-21(16-19)30-26(34)31-23-15-18(25(33)29-11-14-32-12-1-2-13-32)9-10-24(23)35-22-8-4-6-20(28)17-22/h3-10,15-17H,1-2,11-14H2,(H,29,33)(H2,30,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA |
Bioorg Med Chem Lett 16: 5066-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3 |
More data for this
Ligand-Target Pair | |
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