Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50031276 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 |
|---|
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310322
((S)-2-(2-((S)-2-(2-acetamidoacetamido)-N-benzyl-3-...)Show SMILES CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,8.7,wD:34.34,(23.52,-9.64,;24.85,-10.41,;24.85,-11.95,;26.18,-9.64,;27.52,-10.41,;28.85,-9.64,;28.85,-8.1,;30.18,-10.41,;31.52,-9.64,;31.52,-8.09,;30.75,-6.75,;31.53,-5.42,;30.77,-4.08,;29.22,-4.07,;28.44,-5.42,;29.22,-6.75,;32.85,-10.41,;32.85,-11.95,;34.19,-9.64,;35.52,-10.41,;36.85,-9.64,;36.85,-8.1,;38.19,-10.41,;39.52,-9.64,;39.52,-8.1,;40.85,-7.33,;40.85,-5.79,;42.19,-5.02,;42.19,-3.48,;43.52,-2.71,;40.85,-2.71,;40.85,-10.41,;40.85,-11.95,;42.19,-9.64,;43.52,-10.41,;43.52,-11.95,;44.86,-12.72,;46.09,-11.78,;47.36,-12.66,;46.91,-14.13,;47.7,-15.44,;46.97,-16.79,;45.42,-16.82,;44.63,-15.5,;45.37,-14.16,;44.86,-9.64,;44.86,-8.1,;46.19,-10.41,;47.52,-9.64,;48.86,-10.41,;50.19,-9.64,;48.86,-11.95,;34.18,-8.09,;34.94,-6.75,;36.48,-6.75,;37.24,-5.41,;36.46,-4.08,;34.92,-4.09,;34.16,-5.43,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-36(55)50-34(19-27-11-4-2-5-12-27)40(59)52(24-28-13-6-3-7-14-28)25-37(56)49-32(17-10-18-45-41(43)44)39(58)51-33(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,45)/t32-,33-,34-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310326
((S)-2-(2-(2-(2-acetamido-N-benzylacetamido)-N-benz...)Show SMILES CC(=O)NCC(=O)N(CC(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)Cc1ccccc1 |r,wU:16.15,wD:27.26,(-7.77,-25.68,;-6.43,-26.44,;-6.43,-27.98,;-5.1,-25.68,;-3.76,-26.44,;-2.43,-25.68,;-2.43,-24.14,;-1.09,-26.44,;.24,-25.68,;1.57,-26.44,;1.57,-27.98,;2.91,-25.68,;4.24,-26.44,;5.58,-25.68,;5.58,-24.14,;6.91,-26.44,;8.25,-25.68,;8.25,-24.14,;9.58,-23.36,;9.58,-21.82,;10.91,-21.05,;10.91,-19.51,;12.25,-18.74,;9.58,-18.74,;9.58,-26.44,;9.58,-27.98,;10.91,-25.68,;12.25,-26.44,;12.25,-27.98,;13.59,-28.76,;14.82,-27.82,;16.09,-28.7,;15.64,-30.18,;16.43,-31.49,;15.7,-32.83,;14.15,-32.87,;13.36,-31.55,;14.11,-30.2,;13.58,-25.68,;13.58,-24.14,;14.92,-26.44,;16.25,-25.68,;17.59,-26.44,;18.92,-25.68,;17.59,-27.98,;2.91,-24.14,;1.57,-23.36,;1.57,-21.82,;.25,-21.05,;-1.09,-21.82,;-1.08,-23.37,;.25,-24.13,;-1.09,-27.98,;-2.43,-28.76,;-3.76,-27.98,;-5.1,-28.75,;-5.1,-30.29,;-3.75,-31.06,;-2.42,-30.29,)| Show InChI InChI=1S/C41H51N11O7/c1-27(53)46-22-37(56)52(24-29-13-6-3-7-14-29)26-38(57)51(23-28-11-4-2-5-12-28)25-36(55)49-33(17-10-18-45-41(43)44)40(59)50-34(39(58)48-21-35(42)54)19-30-20-47-32-16-9-8-15-31(30)32/h2-9,11-16,20,33-34,47H,10,17-19,21-26H2,1H3,(H2,42,54)(H,46,53)(H,48,58)(H,49,55)(H,50,59)(H4,43,44,45)/t33-,34-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310320
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:15.15,37.39,wD:48.50,(10.67,-40.67,;9.34,-41.45,;9.34,-42.99,;8,-40.68,;6.68,-41.45,;5.34,-40.68,;5.34,-39.14,;1.3,-38.33,;1.29,-36.79,;2.61,-36.02,;-.05,-36.03,;-1.38,-36.81,;-1.37,-38.35,;-.03,-39.11,;-2.7,-39.13,;-2.69,-40.67,;-4.03,-39.89,;-4.04,-38.35,;-2.71,-37.59,;-2.72,-36.05,;-4.06,-35.28,;-5.39,-36.07,;-5.37,-37.61,;-4.02,-41.45,;-5.36,-40.69,;-4.01,-43,;-5.34,-43.77,;-6.68,-43,;-6.68,-41.46,;-8.01,-40.7,;-9.35,-41.47,;-9.34,-43.02,;-8,-43.78,;-2.67,-43.77,;-1.33,-43.01,;-1.33,-41.46,;.01,-43.77,;1.35,-43.01,;1.35,-44.55,;.01,-45.31,;.01,-46.85,;-1.33,-47.63,;-1.33,-49.17,;-2.66,-49.94,;.01,-49.94,;2.67,-43.77,;2.67,-45.31,;4.01,-43.01,;5.34,-43.77,;5.34,-45.31,;6.68,-46.09,;7.92,-45.15,;9.18,-46.03,;8.73,-47.5,;9.53,-48.81,;8.79,-50.16,;7.24,-50.19,;6.45,-48.87,;7.2,-47.53,;6.68,-42.99,;8.02,-43.75,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-38(57)51-34(22-28-10-3-1-4-11-28)42(61)54(25-29-12-5-2-6-13-29)27-39(58)50-33(16-9-19-48-43(45)46)40(59)52-35(41(53)60)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,48)/t33-,34-,35-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.83E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310321
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:26.27,37.39,wD:48.50,(41.43,-22.54,;40.1,-23.3,;40.1,-24.84,;38.77,-22.54,;37.44,-23.31,;36.1,-22.54,;36.09,-21,;32.06,-20.2,;32.05,-18.66,;33.38,-17.87,;30.7,-17.89,;29.37,-18.67,;29.39,-20.21,;30.73,-20.97,;28.05,-20.99,;26.72,-20.23,;26.71,-18.69,;28.05,-17.92,;28.04,-16.38,;26.69,-15.61,;25.36,-16.4,;25.38,-17.94,;28.07,-22.54,;26.74,-23.31,;25.4,-22.55,;26.75,-24.85,;28.09,-25.64,;28.08,-27.17,;26.74,-27.92,;25.41,-27.13,;24.07,-27.88,;24.05,-29.43,;25.38,-30.21,;26.72,-29.46,;29.43,-24.86,;29.43,-23.32,;30.76,-25.64,;32.11,-24.86,;32.11,-26.4,;30.77,-27.18,;30.77,-28.72,;29.43,-29.49,;29.43,-31.03,;28.1,-31.8,;30.77,-31.8,;33.43,-25.64,;33.43,-27.18,;34.77,-24.86,;36.1,-25.64,;36.1,-27.18,;37.44,-27.94,;38.67,-27.01,;39.94,-27.89,;39.49,-29.36,;40.29,-30.68,;39.55,-32.02,;38,-32.05,;37.21,-30.74,;37.95,-29.39,;37.44,-24.85,;38.78,-25.62,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-39(58)54(25-29-12-5-2-6-13-29)27-38(57)50-34(22-28-10-3-1-4-11-28)41(60)51-33(16-9-19-48-43(45)46)40(59)52-35(42(53)61)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H,52,59)(H4,45,46,48)/t33-,34+,35-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 380 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310321
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:26.27,37.39,wD:48.50,(41.43,-22.54,;40.1,-23.3,;40.1,-24.84,;38.77,-22.54,;37.44,-23.31,;36.1,-22.54,;36.09,-21,;32.06,-20.2,;32.05,-18.66,;33.38,-17.87,;30.7,-17.89,;29.37,-18.67,;29.39,-20.21,;30.73,-20.97,;28.05,-20.99,;26.72,-20.23,;26.71,-18.69,;28.05,-17.92,;28.04,-16.38,;26.69,-15.61,;25.36,-16.4,;25.38,-17.94,;28.07,-22.54,;26.74,-23.31,;25.4,-22.55,;26.75,-24.85,;28.09,-25.64,;28.08,-27.17,;26.74,-27.92,;25.41,-27.13,;24.07,-27.88,;24.05,-29.43,;25.38,-30.21,;26.72,-29.46,;29.43,-24.86,;29.43,-23.32,;30.76,-25.64,;32.11,-24.86,;32.11,-26.4,;30.77,-27.18,;30.77,-28.72,;29.43,-29.49,;29.43,-31.03,;28.1,-31.8,;30.77,-31.8,;33.43,-25.64,;33.43,-27.18,;34.77,-24.86,;36.1,-25.64,;36.1,-27.18,;37.44,-27.94,;38.67,-27.01,;39.94,-27.89,;39.49,-29.36,;40.29,-30.68,;39.55,-32.02,;38,-32.05,;37.21,-30.74,;37.95,-29.39,;37.44,-24.85,;38.78,-25.62,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-39(58)54(25-29-12-5-2-6-13-29)27-38(57)50-34(22-28-10-3-1-4-11-28)41(60)51-33(16-9-19-48-43(45)46)40(59)52-35(42(53)61)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H,52,59)(H4,45,46,48)/t33-,34+,35-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310320
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:15.15,37.39,wD:48.50,(10.67,-40.67,;9.34,-41.45,;9.34,-42.99,;8,-40.68,;6.68,-41.45,;5.34,-40.68,;5.34,-39.14,;1.3,-38.33,;1.29,-36.79,;2.61,-36.02,;-.05,-36.03,;-1.38,-36.81,;-1.37,-38.35,;-.03,-39.11,;-2.7,-39.13,;-2.69,-40.67,;-4.03,-39.89,;-4.04,-38.35,;-2.71,-37.59,;-2.72,-36.05,;-4.06,-35.28,;-5.39,-36.07,;-5.37,-37.61,;-4.02,-41.45,;-5.36,-40.69,;-4.01,-43,;-5.34,-43.77,;-6.68,-43,;-6.68,-41.46,;-8.01,-40.7,;-9.35,-41.47,;-9.34,-43.02,;-8,-43.78,;-2.67,-43.77,;-1.33,-43.01,;-1.33,-41.46,;.01,-43.77,;1.35,-43.01,;1.35,-44.55,;.01,-45.31,;.01,-46.85,;-1.33,-47.63,;-1.33,-49.17,;-2.66,-49.94,;.01,-49.94,;2.67,-43.77,;2.67,-45.31,;4.01,-43.01,;5.34,-43.77,;5.34,-45.31,;6.68,-46.09,;7.92,-45.15,;9.18,-46.03,;8.73,-47.5,;9.53,-48.81,;8.79,-50.16,;7.24,-50.19,;6.45,-48.87,;7.2,-47.53,;6.68,-42.99,;8.02,-43.75,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-38(57)51-34(22-28-10-3-1-4-11-28)42(61)54(25-29-12-5-2-6-13-29)27-39(58)50-33(16-9-19-48-43(45)46)40(59)52-35(41(53)60)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,48)/t33-,34-,35-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310326
((S)-2-(2-(2-(2-acetamido-N-benzylacetamido)-N-benz...)Show SMILES CC(=O)NCC(=O)N(CC(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)Cc1ccccc1 |r,wU:16.15,wD:27.26,(-7.77,-25.68,;-6.43,-26.44,;-6.43,-27.98,;-5.1,-25.68,;-3.76,-26.44,;-2.43,-25.68,;-2.43,-24.14,;-1.09,-26.44,;.24,-25.68,;1.57,-26.44,;1.57,-27.98,;2.91,-25.68,;4.24,-26.44,;5.58,-25.68,;5.58,-24.14,;6.91,-26.44,;8.25,-25.68,;8.25,-24.14,;9.58,-23.36,;9.58,-21.82,;10.91,-21.05,;10.91,-19.51,;12.25,-18.74,;9.58,-18.74,;9.58,-26.44,;9.58,-27.98,;10.91,-25.68,;12.25,-26.44,;12.25,-27.98,;13.59,-28.76,;14.82,-27.82,;16.09,-28.7,;15.64,-30.18,;16.43,-31.49,;15.7,-32.83,;14.15,-32.87,;13.36,-31.55,;14.11,-30.2,;13.58,-25.68,;13.58,-24.14,;14.92,-26.44,;16.25,-25.68,;17.59,-26.44,;18.92,-25.68,;17.59,-27.98,;2.91,-24.14,;1.57,-23.36,;1.57,-21.82,;.25,-21.05,;-1.09,-21.82,;-1.08,-23.37,;.25,-24.13,;-1.09,-27.98,;-2.43,-28.76,;-3.76,-27.98,;-5.1,-28.75,;-5.1,-30.29,;-3.75,-31.06,;-2.42,-30.29,)| Show InChI InChI=1S/C41H51N11O7/c1-27(53)46-22-37(56)52(24-29-13-6-3-7-14-29)26-38(57)51(23-28-11-4-2-5-12-28)25-36(55)49-33(17-10-18-45-41(43)44)40(59)50-34(39(58)48-21-35(42)54)19-30-20-47-32-16-9-8-15-31(30)32/h2-9,11-16,20,33-34,47H,10,17-19,21-26H2,1H3,(H2,42,54)(H,46,53)(H,48,58)(H,49,55)(H,50,59)(H4,43,44,45)/t33-,34-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310322
((S)-2-(2-((S)-2-(2-acetamidoacetamido)-N-benzyl-3-...)Show SMILES CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,8.7,wD:34.34,(23.52,-9.64,;24.85,-10.41,;24.85,-11.95,;26.18,-9.64,;27.52,-10.41,;28.85,-9.64,;28.85,-8.1,;30.18,-10.41,;31.52,-9.64,;31.52,-8.09,;30.75,-6.75,;31.53,-5.42,;30.77,-4.08,;29.22,-4.07,;28.44,-5.42,;29.22,-6.75,;32.85,-10.41,;32.85,-11.95,;34.19,-9.64,;35.52,-10.41,;36.85,-9.64,;36.85,-8.1,;38.19,-10.41,;39.52,-9.64,;39.52,-8.1,;40.85,-7.33,;40.85,-5.79,;42.19,-5.02,;42.19,-3.48,;43.52,-2.71,;40.85,-2.71,;40.85,-10.41,;40.85,-11.95,;42.19,-9.64,;43.52,-10.41,;43.52,-11.95,;44.86,-12.72,;46.09,-11.78,;47.36,-12.66,;46.91,-14.13,;47.7,-15.44,;46.97,-16.79,;45.42,-16.82,;44.63,-15.5,;45.37,-14.16,;44.86,-9.64,;44.86,-8.1,;46.19,-10.41,;47.52,-9.64,;48.86,-10.41,;50.19,-9.64,;48.86,-11.95,;34.18,-8.09,;34.94,-6.75,;36.48,-6.75,;37.24,-5.41,;36.46,-4.08,;34.92,-4.09,;34.16,-5.43,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-36(55)50-34(19-27-11-4-2-5-12-27)40(59)52(24-28-13-6-3-7-14-28)25-37(56)49-32(17-10-18-45-41(43)44)39(58)51-33(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,45)/t32-,33-,34-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 8.80 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310323
((S)-2-((R)-2-(2-(2-acetamido-N-benzylacetamido)ace...)Show SMILES CC(=O)NCC(=O)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,12.11,wD:34.34,(-10.03,-9.43,;-8.69,-10.2,;-8.69,-11.74,;-7.36,-9.43,;-6.02,-10.2,;-4.69,-9.43,;-4.69,-7.89,;-3.35,-10.2,;-2.02,-9.43,;-.69,-10.2,;-.69,-11.74,;.64,-9.43,;1.98,-10.2,;1.98,-11.74,;3.31,-12.51,;3.31,-14.06,;4.64,-14.82,;5.98,-14.06,;5.97,-12.51,;4.64,-11.74,;3.31,-9.43,;3.31,-7.89,;4.65,-10.2,;5.98,-9.43,;5.98,-7.89,;7.31,-7.1,;7.29,-5.56,;5.95,-4.81,;5.93,-3.29,;4.58,-2.53,;7.25,-2.5,;7.32,-10.2,;7.32,-11.74,;8.65,-9.43,;9.98,-10.2,;9.98,-11.74,;11.32,-12.51,;12.55,-11.58,;13.82,-12.46,;13.38,-13.93,;14.16,-15.24,;13.43,-16.59,;11.89,-16.62,;11.09,-15.3,;11.84,-13.96,;11.32,-9.43,;11.32,-7.89,;12.65,-10.2,;13.99,-9.43,;15.32,-10.2,;16.65,-9.43,;15.32,-11.74,;-3.35,-11.74,;-4.69,-12.51,;-6.02,-11.73,;-7.35,-12.5,;-7.35,-14.05,;-6.01,-14.81,;-4.68,-14.04,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-37(56)52(24-28-13-6-3-7-14-28)25-36(55)49-33(19-27-11-4-2-5-12-27)40(59)50-32(17-10-18-45-41(43)44)39(58)51-34(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,55)(H,50,59)(H,51,58)(H4,43,44,45)/t32-,33+,34-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.82E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310324
(CHEMBL589515 | Phe-D-Phe-Arg-Trp-NH2)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:34.35,wD:1.0,12.12,23.24,(-11.51,1.41,;-10.19,.63,;-10.2,-.91,;-8.88,-1.7,;-8.89,-3.23,;-7.56,-4.02,;-6.22,-3.26,;-6.21,-1.72,;-7.54,-.94,;-8.85,1.38,;-8.83,2.93,;-7.52,.6,;-6.18,1.36,;-6.16,2.9,;-4.82,3.66,;-4.81,5.2,;-3.47,5.96,;-2.14,5.17,;-2.16,3.63,;-3.5,2.88,;-4.85,.58,;-4.87,-.96,;-3.51,1.33,;-2.19,.55,;-2.2,-.99,;-.88,-1.77,;-.89,-3.31,;.44,-4.1,;.43,-5.63,;1.75,-6.42,;-.91,-6.39,;-.84,1.31,;-.82,2.85,;.48,.52,;1.83,1.28,;1.85,2.83,;3.18,3.58,;4.44,2.69,;5.67,3.61,;5.18,5.07,;5.93,6.41,;5.15,7.75,;3.61,7.73,;2.86,6.38,;3.64,5.05,;3.15,.51,;4.5,1.26,;3.14,-1.04,)| Show InChI InChI=1S/C35H43N9O4/c36-26(18-22-10-3-1-4-11-22)32(46)44-30(19-23-12-5-2-6-13-23)34(48)42-28(16-9-17-40-35(38)39)33(47)43-29(31(37)45)20-24-21-41-27-15-8-7-14-25(24)27/h1-8,10-15,21,26,28-30,41H,9,16-20,36H2,(H2,37,45)(H,42,48)(H,43,47)(H,44,46)(H4,38,39,40)/t26-,28-,29-,30+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 503 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310323
((S)-2-((R)-2-(2-(2-acetamido-N-benzylacetamido)ace...)Show SMILES CC(=O)NCC(=O)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,12.11,wD:34.34,(-10.03,-9.43,;-8.69,-10.2,;-8.69,-11.74,;-7.36,-9.43,;-6.02,-10.2,;-4.69,-9.43,;-4.69,-7.89,;-3.35,-10.2,;-2.02,-9.43,;-.69,-10.2,;-.69,-11.74,;.64,-9.43,;1.98,-10.2,;1.98,-11.74,;3.31,-12.51,;3.31,-14.06,;4.64,-14.82,;5.98,-14.06,;5.97,-12.51,;4.64,-11.74,;3.31,-9.43,;3.31,-7.89,;4.65,-10.2,;5.98,-9.43,;5.98,-7.89,;7.31,-7.1,;7.29,-5.56,;5.95,-4.81,;5.93,-3.29,;4.58,-2.53,;7.25,-2.5,;7.32,-10.2,;7.32,-11.74,;8.65,-9.43,;9.98,-10.2,;9.98,-11.74,;11.32,-12.51,;12.55,-11.58,;13.82,-12.46,;13.38,-13.93,;14.16,-15.24,;13.43,-16.59,;11.89,-16.62,;11.09,-15.3,;11.84,-13.96,;11.32,-9.43,;11.32,-7.89,;12.65,-10.2,;13.99,-9.43,;15.32,-10.2,;16.65,-9.43,;15.32,-11.74,;-3.35,-11.74,;-4.69,-12.51,;-6.02,-11.73,;-7.35,-12.5,;-7.35,-14.05,;-6.01,-14.81,;-4.68,-14.04,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-37(56)52(24-28-13-6-3-7-14-28)25-36(55)49-33(19-27-11-4-2-5-12-27)40(59)50-32(17-10-18-45-41(43)44)39(58)51-34(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,55)(H,50,59)(H,51,58)(H4,43,44,45)/t32-,33+,34-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310324
(CHEMBL589515 | Phe-D-Phe-Arg-Trp-NH2)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:34.35,wD:1.0,12.12,23.24,(-11.51,1.41,;-10.19,.63,;-10.2,-.91,;-8.88,-1.7,;-8.89,-3.23,;-7.56,-4.02,;-6.22,-3.26,;-6.21,-1.72,;-7.54,-.94,;-8.85,1.38,;-8.83,2.93,;-7.52,.6,;-6.18,1.36,;-6.16,2.9,;-4.82,3.66,;-4.81,5.2,;-3.47,5.96,;-2.14,5.17,;-2.16,3.63,;-3.5,2.88,;-4.85,.58,;-4.87,-.96,;-3.51,1.33,;-2.19,.55,;-2.2,-.99,;-.88,-1.77,;-.89,-3.31,;.44,-4.1,;.43,-5.63,;1.75,-6.42,;-.91,-6.39,;-.84,1.31,;-.82,2.85,;.48,.52,;1.83,1.28,;1.85,2.83,;3.18,3.58,;4.44,2.69,;5.67,3.61,;5.18,5.07,;5.93,6.41,;5.15,7.75,;3.61,7.73,;2.86,6.38,;3.64,5.05,;3.15,.51,;4.5,1.26,;3.14,-1.04,)| Show InChI InChI=1S/C35H43N9O4/c36-26(18-22-10-3-1-4-11-22)32(46)44-30(19-23-12-5-2-6-13-23)34(48)42-28(16-9-17-40-35(38)39)33(47)43-29(31(37)45)20-24-21-41-27-15-8-7-14-25(24)27/h1-8,10-15,21,26,28-30,41H,9,16-20,36H2,(H2,37,45)(H,42,48)(H,43,47)(H,44,46)(H4,38,39,40)/t26-,28-,29-,30+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 71 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310319
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:37.39,wD:48.50,(37.65,-41.43,;36.31,-42.2,;36.32,-43.74,;34.98,-41.43,;33.66,-42.2,;32.32,-41.43,;32.31,-39.89,;28.27,-39.09,;28.26,-37.55,;29.59,-36.77,;26.92,-36.78,;25.59,-37.57,;25.6,-39.11,;26.94,-39.86,;24.27,-39.88,;22.94,-39.13,;22.93,-37.59,;24.26,-36.81,;24.25,-35.27,;22.91,-34.5,;21.58,-35.3,;21.59,-36.83,;24.28,-41.43,;22.95,-42.21,;21.62,-41.44,;22.96,-43.75,;21.64,-44.52,;20.3,-43.75,;20.3,-42.22,;18.96,-41.44,;17.63,-42.22,;17.64,-43.77,;18.97,-44.53,;24.31,-44.53,;25.65,-43.76,;25.65,-42.22,;26.98,-44.53,;28.32,-43.76,;28.32,-45.3,;26.99,-46.07,;26.99,-47.61,;25.65,-48.38,;25.65,-49.92,;24.31,-50.69,;26.99,-50.69,;29.65,-44.53,;29.65,-46.07,;30.98,-43.76,;32.32,-44.53,;32.32,-46.07,;33.66,-46.83,;34.89,-45.9,;36.16,-46.79,;35.71,-48.26,;36.5,-49.57,;35.76,-50.91,;34.22,-50.94,;33.42,-49.63,;34.17,-48.28,;33.66,-43.74,;34.99,-44.51,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-52-21-20-47-37(56)17-18-39(58)54(25-30-12-5-2-6-13-30)28-40(59)53(24-29-10-3-1-4-11-29)27-38(57)50-34(16-9-19-48-43(45)46)41(60)51-35(42(52)61)22-31-23-49-33-15-8-7-14-32(31)33/h1-8,10-15,23,34-35,49H,9,16-22,24-28H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H4,45,46,48)/t34-,35-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.96E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310325
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:28.29,39.41,wD:50.52,(33.21,-20.02,;31.88,-20.79,;31.88,-22.33,;30.54,-20.03,;29.22,-20.8,;27.88,-20.04,;27.87,-18.5,;26.54,-17.73,;26.49,-16.13,;27.82,-15.35,;25.16,-15.37,;23.83,-16.15,;22.49,-15.39,;21.16,-16.17,;21.17,-17.71,;22.51,-18.47,;19.84,-18.48,;18.5,-17.72,;18.49,-16.18,;19.83,-15.41,;19.82,-13.87,;18.48,-13.11,;17.14,-13.9,;17.16,-15.43,;19.85,-20.02,;18.52,-20.8,;17.18,-20.04,;18.53,-22.34,;19.88,-23.12,;19.86,-24.66,;18.52,-25.41,;17.2,-24.62,;15.86,-25.37,;15.84,-26.91,;17.17,-27.7,;18.51,-26.94,;21.21,-22.35,;21.21,-20.81,;22.55,-23.12,;23.88,-22.35,;23.88,-23.89,;22.55,-24.66,;22.55,-26.2,;21.22,-26.97,;21.22,-28.51,;19.88,-29.28,;22.55,-29.28,;25.21,-23.12,;25.21,-24.66,;26.55,-22.35,;27.88,-23.12,;27.88,-24.66,;29.22,-25.43,;30.45,-24.5,;31.71,-25.38,;31.27,-26.85,;32.06,-28.16,;31.32,-29.5,;29.78,-29.54,;28.99,-28.22,;29.73,-26.88,;29.22,-22.34,;30.56,-23.11,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-41(60)56(27-31-14-5-2-6-15-31)29-40(59)52-36(24-30-12-3-1-4-13-30)43(62)53-35(18-11-21-50-45(47)48)42(61)54-37(44(55)63)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H,54,61)(H4,47,48,50)/t35-,36+,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310319
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:37.39,wD:48.50,(37.65,-41.43,;36.31,-42.2,;36.32,-43.74,;34.98,-41.43,;33.66,-42.2,;32.32,-41.43,;32.31,-39.89,;28.27,-39.09,;28.26,-37.55,;29.59,-36.77,;26.92,-36.78,;25.59,-37.57,;25.6,-39.11,;26.94,-39.86,;24.27,-39.88,;22.94,-39.13,;22.93,-37.59,;24.26,-36.81,;24.25,-35.27,;22.91,-34.5,;21.58,-35.3,;21.59,-36.83,;24.28,-41.43,;22.95,-42.21,;21.62,-41.44,;22.96,-43.75,;21.64,-44.52,;20.3,-43.75,;20.3,-42.22,;18.96,-41.44,;17.63,-42.22,;17.64,-43.77,;18.97,-44.53,;24.31,-44.53,;25.65,-43.76,;25.65,-42.22,;26.98,-44.53,;28.32,-43.76,;28.32,-45.3,;26.99,-46.07,;26.99,-47.61,;25.65,-48.38,;25.65,-49.92,;24.31,-50.69,;26.99,-50.69,;29.65,-44.53,;29.65,-46.07,;30.98,-43.76,;32.32,-44.53,;32.32,-46.07,;33.66,-46.83,;34.89,-45.9,;36.16,-46.79,;35.71,-48.26,;36.5,-49.57,;35.76,-50.91,;34.22,-50.94,;33.42,-49.63,;34.17,-48.28,;33.66,-43.74,;34.99,-44.51,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-52-21-20-47-37(56)17-18-39(58)54(25-30-12-5-2-6-13-30)28-40(59)53(24-29-10-3-1-4-11-29)27-38(57)50-34(16-9-19-48-43(45)46)41(60)51-35(42(52)61)22-31-23-49-33-15-8-7-14-32(31)33/h1-8,10-15,23,34-35,49H,9,16-22,24-28H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H4,45,46,48)/t34-,35-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310316
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:38.40,wD:49.51,(10.15,-18.94,;8.82,-19.71,;8.82,-21.25,;7.48,-18.95,;6.15,-19.72,;4.82,-18.95,;4.81,-17.41,;3.43,-15.05,;2.09,-14.29,;2.08,-12.75,;.77,-15.07,;-.57,-14.31,;-1.9,-15.08,;-1.89,-16.62,;-.55,-17.39,;-3.22,-17.4,;-4.56,-16.64,;-4.57,-15.1,;-3.23,-14.33,;-3.24,-12.79,;-4.58,-12.03,;-5.92,-12.82,;-5.9,-14.35,;-3.21,-18.94,;-4.54,-19.72,;-5.88,-18.96,;-4.53,-21.26,;-5.86,-22.04,;-7.19,-21.27,;-7.19,-19.73,;-8.53,-18.97,;-9.86,-19.74,;-9.85,-21.29,;-8.52,-22.05,;-3.18,-22.04,;-1.85,-21.27,;-1.85,-19.73,;-.52,-22.04,;.82,-21.27,;.82,-22.81,;-.51,-23.58,;-.51,-25.12,;-1.84,-25.89,;-1.84,-27.43,;-3.18,-28.2,;-.51,-28.2,;2.15,-22.04,;2.15,-23.58,;3.49,-21.27,;4.82,-22.04,;4.82,-23.58,;6.16,-24.35,;7.39,-23.42,;8.65,-24.3,;8.21,-25.77,;9,-27.08,;8.26,-28.42,;6.72,-28.46,;5.93,-27.14,;6.67,-25.8,;6.16,-21.26,;7.5,-22.02,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-53-22-21-48-38(57)18-9-19-40(59)55(26-31-13-5-2-6-14-31)29-41(60)54(25-30-11-3-1-4-12-30)28-39(58)51-35(17-10-20-49-44(46)47)42(61)52-36(43(53)62)23-32-24-50-34-16-8-7-15-33(32)34/h1-8,11-16,24,35-36,50H,9-10,17-23,25-29H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H4,46,47,49)/t35-,36-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310318
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:27.28,38.40,wD:49.51,(8.11,-.38,;6.78,-1.16,;6.78,-2.7,;5.44,-.39,;4.12,-1.16,;2.78,-.4,;2.77,1.14,;1.39,3.51,;.06,4.27,;.05,5.81,;-1.27,3.49,;-2.61,4.25,;-3.94,3.47,;-3.93,1.93,;-2.59,1.17,;-5.26,1.15,;-6.6,1.92,;-6.61,3.46,;-5.27,4.23,;-5.28,5.77,;-6.62,6.53,;-7.96,5.74,;-7.94,4.21,;-5.25,-.39,;-6.58,-1.16,;-7.91,-.4,;-6.56,-2.7,;-5.22,-3.48,;-5.24,-5.02,;-6.58,-5.77,;-7.9,-4.98,;-9.24,-5.73,;-9.26,-7.27,;-7.93,-8.06,;-6.59,-7.3,;-3.89,-2.71,;-3.89,-1.17,;-2.55,-3.48,;-1.21,-2.71,;-1.21,-4.25,;-2.55,-5.02,;-2.55,-6.56,;-3.88,-7.33,;-3.88,-8.87,;-5.22,-9.64,;-2.55,-9.64,;.11,-3.48,;.11,-5.02,;1.45,-2.71,;2.78,-3.48,;2.78,-5.02,;4.12,-5.79,;5.35,-4.86,;6.62,-5.74,;6.17,-7.21,;6.96,-8.52,;6.23,-9.86,;4.68,-9.9,;3.89,-8.58,;4.63,-7.24,;4.12,-2.7,;5.46,-3.47,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-40(59)55(26-30-13-5-2-6-14-30)28-39(58)51-35(23-29-11-3-1-4-12-29)42(61)52-34(17-10-20-49-44(46)47)41(60)53-36(43(54)62)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H4,46,47,49)/t34-,35+,36-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310317
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:16.16,38.40,wD:49.51,(33.33,.48,;32,-.29,;32,-1.83,;30.67,.48,;29.34,-.3,;28,.47,;28,2.01,;26.62,4.37,;25.28,5.13,;25.27,6.67,;23.95,4.35,;22.61,5.12,;21.28,4.34,;21.29,2.8,;22.63,2.04,;19.97,2.02,;19.98,.48,;18.64,1.25,;18.63,2.79,;19.96,3.56,;19.95,5.1,;18.61,5.87,;17.28,5.08,;17.29,3.54,;18.65,-.3,;17.31,.46,;18.66,-1.84,;17.33,-2.61,;15.99,-1.85,;15.99,-.31,;14.66,.46,;13.33,-.32,;13.33,-1.87,;14.67,-2.63,;20,-2.62,;21.34,-1.85,;21.34,-.31,;22.67,-2.62,;24.01,-1.85,;24.01,-3.39,;22.67,-4.16,;22.67,-5.7,;21.34,-6.47,;21.34,-8.01,;20.01,-8.78,;22.67,-8.78,;25.34,-2.62,;25.34,-4.16,;26.67,-1.85,;28,-2.62,;28,-4.16,;29.34,-4.93,;30.57,-4,;31.84,-4.87,;31.39,-6.35,;32.19,-7.66,;31.45,-9,;29.91,-9.03,;29.11,-7.72,;29.86,-6.37,;29.34,-1.84,;30.68,-2.6,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-39(58)52-35(23-29-11-3-1-4-12-29)43(62)55(26-30-13-5-2-6-14-30)28-40(59)51-34(17-10-20-49-44(46)47)41(60)53-36(42(54)61)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,59)(H,52,58)(H,53,60)(H4,46,47,49)/t34-,35-,36-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310318
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:27.28,38.40,wD:49.51,(8.11,-.38,;6.78,-1.16,;6.78,-2.7,;5.44,-.39,;4.12,-1.16,;2.78,-.4,;2.77,1.14,;1.39,3.51,;.06,4.27,;.05,5.81,;-1.27,3.49,;-2.61,4.25,;-3.94,3.47,;-3.93,1.93,;-2.59,1.17,;-5.26,1.15,;-6.6,1.92,;-6.61,3.46,;-5.27,4.23,;-5.28,5.77,;-6.62,6.53,;-7.96,5.74,;-7.94,4.21,;-5.25,-.39,;-6.58,-1.16,;-7.91,-.4,;-6.56,-2.7,;-5.22,-3.48,;-5.24,-5.02,;-6.58,-5.77,;-7.9,-4.98,;-9.24,-5.73,;-9.26,-7.27,;-7.93,-8.06,;-6.59,-7.3,;-3.89,-2.71,;-3.89,-1.17,;-2.55,-3.48,;-1.21,-2.71,;-1.21,-4.25,;-2.55,-5.02,;-2.55,-6.56,;-3.88,-7.33,;-3.88,-8.87,;-5.22,-9.64,;-2.55,-9.64,;.11,-3.48,;.11,-5.02,;1.45,-2.71,;2.78,-3.48,;2.78,-5.02,;4.12,-5.79,;5.35,-4.86,;6.62,-5.74,;6.17,-7.21,;6.96,-8.52,;6.23,-9.86,;4.68,-9.9,;3.89,-8.58,;4.63,-7.24,;4.12,-2.7,;5.46,-3.47,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-40(59)55(26-30-13-5-2-6-14-30)28-39(58)51-35(23-29-11-3-1-4-12-29)42(61)52-34(17-10-20-49-44(46)47)41(60)53-36(43(54)62)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H4,46,47,49)/t34-,35+,36-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 640 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310316
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:38.40,wD:49.51,(10.15,-18.94,;8.82,-19.71,;8.82,-21.25,;7.48,-18.95,;6.15,-19.72,;4.82,-18.95,;4.81,-17.41,;3.43,-15.05,;2.09,-14.29,;2.08,-12.75,;.77,-15.07,;-.57,-14.31,;-1.9,-15.08,;-1.89,-16.62,;-.55,-17.39,;-3.22,-17.4,;-4.56,-16.64,;-4.57,-15.1,;-3.23,-14.33,;-3.24,-12.79,;-4.58,-12.03,;-5.92,-12.82,;-5.9,-14.35,;-3.21,-18.94,;-4.54,-19.72,;-5.88,-18.96,;-4.53,-21.26,;-5.86,-22.04,;-7.19,-21.27,;-7.19,-19.73,;-8.53,-18.97,;-9.86,-19.74,;-9.85,-21.29,;-8.52,-22.05,;-3.18,-22.04,;-1.85,-21.27,;-1.85,-19.73,;-.52,-22.04,;.82,-21.27,;.82,-22.81,;-.51,-23.58,;-.51,-25.12,;-1.84,-25.89,;-1.84,-27.43,;-3.18,-28.2,;-.51,-28.2,;2.15,-22.04,;2.15,-23.58,;3.49,-21.27,;4.82,-22.04,;4.82,-23.58,;6.16,-24.35,;7.39,-23.42,;8.65,-24.3,;8.21,-25.77,;9,-27.08,;8.26,-28.42,;6.72,-28.46,;5.93,-27.14,;6.67,-25.8,;6.16,-21.26,;7.5,-22.02,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-53-22-21-48-38(57)18-9-19-40(59)55(26-31-13-5-2-6-14-31)29-41(60)54(25-30-11-3-1-4-12-30)28-39(58)51-35(17-10-20-49-44(46)47)42(61)52-36(43(53)62)23-32-24-50-34-16-8-7-15-33(32)34/h1-8,11-16,24,35-36,50H,9-10,17-23,25-29H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H4,46,47,49)/t35-,36-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310325
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:28.29,39.41,wD:50.52,(33.21,-20.02,;31.88,-20.79,;31.88,-22.33,;30.54,-20.03,;29.22,-20.8,;27.88,-20.04,;27.87,-18.5,;26.54,-17.73,;26.49,-16.13,;27.82,-15.35,;25.16,-15.37,;23.83,-16.15,;22.49,-15.39,;21.16,-16.17,;21.17,-17.71,;22.51,-18.47,;19.84,-18.48,;18.5,-17.72,;18.49,-16.18,;19.83,-15.41,;19.82,-13.87,;18.48,-13.11,;17.14,-13.9,;17.16,-15.43,;19.85,-20.02,;18.52,-20.8,;17.18,-20.04,;18.53,-22.34,;19.88,-23.12,;19.86,-24.66,;18.52,-25.41,;17.2,-24.62,;15.86,-25.37,;15.84,-26.91,;17.17,-27.7,;18.51,-26.94,;21.21,-22.35,;21.21,-20.81,;22.55,-23.12,;23.88,-22.35,;23.88,-23.89,;22.55,-24.66,;22.55,-26.2,;21.22,-26.97,;21.22,-28.51,;19.88,-29.28,;22.55,-29.28,;25.21,-23.12,;25.21,-24.66,;26.55,-22.35,;27.88,-23.12,;27.88,-24.66,;29.22,-25.43,;30.45,-24.5,;31.71,-25.38,;31.27,-26.85,;32.06,-28.16,;31.32,-29.5,;29.78,-29.54,;28.99,-28.22,;29.73,-26.88,;29.22,-22.34,;30.56,-23.11,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-41(60)56(27-31-14-5-2-6-15-31)29-40(59)52-36(24-30-12-3-1-4-13-30)43(62)53-35(18-11-21-50-45(47)48)42(61)54-37(44(55)63)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H,54,61)(H4,47,48,50)/t35-,36+,37-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310315
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-40(59)53-36(24-30-12-3-1-4-13-30)44(63)56(27-31-14-5-2-6-15-31)29-41(60)52-35(18-11-21-50-45(47)48)42(61)54-37(43(55)62)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,60)(H,53,59)(H,54,61)(H4,47,48,50)/t35-,36-,37-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310314
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:39.41,wD:50.52,(34.73,-38.76,;33.39,-39.53,;33.4,-41.07,;32.06,-38.76,;30.73,-39.54,;29.4,-38.77,;29.36,-37.17,;28.02,-36.41,;28.01,-34.87,;29.34,-34.09,;26.67,-34.1,;25.34,-34.88,;24,-34.12,;22.68,-34.9,;22.69,-36.44,;24.03,-37.2,;21.36,-37.22,;20.02,-36.46,;20.01,-34.92,;21.34,-34.15,;21.33,-32.61,;19.99,-31.85,;18.66,-32.63,;18.68,-34.17,;21.37,-38.76,;20.04,-39.54,;18.7,-38.78,;20.05,-41.08,;18.72,-41.85,;17.38,-41.09,;17.39,-39.55,;16.05,-38.78,;14.72,-39.56,;14.73,-41.1,;16.06,-41.86,;21.39,-41.86,;22.73,-41.09,;22.73,-39.55,;24.06,-41.86,;25.4,-41.09,;25.4,-42.63,;24.07,-43.4,;24.07,-44.94,;22.73,-45.71,;22.73,-47.25,;21.4,-48.02,;24.07,-48.02,;26.73,-41.86,;26.73,-43.4,;28.06,-41.09,;29.4,-41.86,;29.4,-43.4,;30.73,-44.17,;31.97,-43.23,;33.23,-44.11,;32.79,-45.59,;33.58,-46.9,;32.84,-48.24,;31.3,-48.27,;30.51,-46.96,;31.25,-45.61,;30.74,-41.08,;32.07,-41.84,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-54-23-22-49-39(58)19-9-10-20-41(60)56(27-32-14-5-2-6-15-32)30-42(61)55(26-31-12-3-1-4-13-31)29-40(59)52-36(18-11-21-50-45(47)48)43(62)53-37(44(54)63)24-33-25-51-35-17-8-7-16-34(33)35/h1-8,12-17,25,36-37,51H,9-11,18-24,26-30H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H4,47,48,50)/t36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50310315
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-40(59)53-36(24-30-12-3-1-4-13-30)44(63)56(27-31-14-5-2-6-15-31)29-41(60)52-35(18-11-21-50-45(47)48)42(61)54-37(43(55)62)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,60)(H,53,59)(H,54,61)(H4,47,48,50)/t35-,36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310314
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:39.41,wD:50.52,(34.73,-38.76,;33.39,-39.53,;33.4,-41.07,;32.06,-38.76,;30.73,-39.54,;29.4,-38.77,;29.36,-37.17,;28.02,-36.41,;28.01,-34.87,;29.34,-34.09,;26.67,-34.1,;25.34,-34.88,;24,-34.12,;22.68,-34.9,;22.69,-36.44,;24.03,-37.2,;21.36,-37.22,;20.02,-36.46,;20.01,-34.92,;21.34,-34.15,;21.33,-32.61,;19.99,-31.85,;18.66,-32.63,;18.68,-34.17,;21.37,-38.76,;20.04,-39.54,;18.7,-38.78,;20.05,-41.08,;18.72,-41.85,;17.38,-41.09,;17.39,-39.55,;16.05,-38.78,;14.72,-39.56,;14.73,-41.1,;16.06,-41.86,;21.39,-41.86,;22.73,-41.09,;22.73,-39.55,;24.06,-41.86,;25.4,-41.09,;25.4,-42.63,;24.07,-43.4,;24.07,-44.94,;22.73,-45.71,;22.73,-47.25,;21.4,-48.02,;24.07,-48.02,;26.73,-41.86,;26.73,-43.4,;28.06,-41.09,;29.4,-41.86,;29.4,-43.4,;30.73,-44.17,;31.97,-43.23,;33.23,-44.11,;32.79,-45.59,;33.58,-46.9,;32.84,-48.24,;31.3,-48.27,;30.51,-46.96,;31.25,-45.61,;30.74,-41.08,;32.07,-41.84,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-54-23-22-49-39(58)19-9-10-20-41(60)56(27-32-14-5-2-6-15-32)30-42(61)55(26-31-12-3-1-4-13-31)29-40(59)52-36(18-11-21-50-45(47)48)43(62)53-37(44(54)63)24-33-25-51-35-17-8-7-16-34(33)35/h1-8,12-17,25,36-37,51H,9-11,18-24,26-30H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H4,47,48,50)/t36-,37-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 990 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310314
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:39.41,wD:50.52,(34.73,-38.76,;33.39,-39.53,;33.4,-41.07,;32.06,-38.76,;30.73,-39.54,;29.4,-38.77,;29.36,-37.17,;28.02,-36.41,;28.01,-34.87,;29.34,-34.09,;26.67,-34.1,;25.34,-34.88,;24,-34.12,;22.68,-34.9,;22.69,-36.44,;24.03,-37.2,;21.36,-37.22,;20.02,-36.46,;20.01,-34.92,;21.34,-34.15,;21.33,-32.61,;19.99,-31.85,;18.66,-32.63,;18.68,-34.17,;21.37,-38.76,;20.04,-39.54,;18.7,-38.78,;20.05,-41.08,;18.72,-41.85,;17.38,-41.09,;17.39,-39.55,;16.05,-38.78,;14.72,-39.56,;14.73,-41.1,;16.06,-41.86,;21.39,-41.86,;22.73,-41.09,;22.73,-39.55,;24.06,-41.86,;25.4,-41.09,;25.4,-42.63,;24.07,-43.4,;24.07,-44.94,;22.73,-45.71,;22.73,-47.25,;21.4,-48.02,;24.07,-48.02,;26.73,-41.86,;26.73,-43.4,;28.06,-41.09,;29.4,-41.86,;29.4,-43.4,;30.73,-44.17,;31.97,-43.23,;33.23,-44.11,;32.79,-45.59,;33.58,-46.9,;32.84,-48.24,;31.3,-48.27,;30.51,-46.96,;31.25,-45.61,;30.74,-41.08,;32.07,-41.84,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-54-23-22-49-39(58)19-9-10-20-41(60)56(27-32-14-5-2-6-15-32)30-42(61)55(26-31-12-3-1-4-13-31)29-40(59)52-36(18-11-21-50-45(47)48)43(62)53-37(44(54)63)24-33-25-51-35-17-8-7-16-34(33)35/h1-8,12-17,25,36-37,51H,9-11,18-24,26-30H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H4,47,48,50)/t36-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310315
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-40(59)53-36(24-30-12-3-1-4-13-30)44(63)56(27-31-14-5-2-6-15-31)29-41(60)52-35(18-11-21-50-45(47)48)42(61)54-37(43(55)62)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,60)(H,53,59)(H,54,61)(H4,47,48,50)/t35-,36-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310316
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:38.40,wD:49.51,(10.15,-18.94,;8.82,-19.71,;8.82,-21.25,;7.48,-18.95,;6.15,-19.72,;4.82,-18.95,;4.81,-17.41,;3.43,-15.05,;2.09,-14.29,;2.08,-12.75,;.77,-15.07,;-.57,-14.31,;-1.9,-15.08,;-1.89,-16.62,;-.55,-17.39,;-3.22,-17.4,;-4.56,-16.64,;-4.57,-15.1,;-3.23,-14.33,;-3.24,-12.79,;-4.58,-12.03,;-5.92,-12.82,;-5.9,-14.35,;-3.21,-18.94,;-4.54,-19.72,;-5.88,-18.96,;-4.53,-21.26,;-5.86,-22.04,;-7.19,-21.27,;-7.19,-19.73,;-8.53,-18.97,;-9.86,-19.74,;-9.85,-21.29,;-8.52,-22.05,;-3.18,-22.04,;-1.85,-21.27,;-1.85,-19.73,;-.52,-22.04,;.82,-21.27,;.82,-22.81,;-.51,-23.58,;-.51,-25.12,;-1.84,-25.89,;-1.84,-27.43,;-3.18,-28.2,;-.51,-28.2,;2.15,-22.04,;2.15,-23.58,;3.49,-21.27,;4.82,-22.04,;4.82,-23.58,;6.16,-24.35,;7.39,-23.42,;8.65,-24.3,;8.21,-25.77,;9,-27.08,;8.26,-28.42,;6.72,-28.46,;5.93,-27.14,;6.67,-25.8,;6.16,-21.26,;7.5,-22.02,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-53-22-21-48-38(57)18-9-19-40(59)55(26-31-13-5-2-6-14-31)29-41(60)54(25-30-11-3-1-4-12-30)28-39(58)51-35(17-10-20-49-44(46)47)42(61)52-36(43(53)62)23-32-24-50-34-16-8-7-15-33(32)34/h1-8,11-16,24,35-36,50H,9-10,17-23,25-29H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H4,46,47,49)/t35-,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310317
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:16.16,38.40,wD:49.51,(33.33,.48,;32,-.29,;32,-1.83,;30.67,.48,;29.34,-.3,;28,.47,;28,2.01,;26.62,4.37,;25.28,5.13,;25.27,6.67,;23.95,4.35,;22.61,5.12,;21.28,4.34,;21.29,2.8,;22.63,2.04,;19.97,2.02,;19.98,.48,;18.64,1.25,;18.63,2.79,;19.96,3.56,;19.95,5.1,;18.61,5.87,;17.28,5.08,;17.29,3.54,;18.65,-.3,;17.31,.46,;18.66,-1.84,;17.33,-2.61,;15.99,-1.85,;15.99,-.31,;14.66,.46,;13.33,-.32,;13.33,-1.87,;14.67,-2.63,;20,-2.62,;21.34,-1.85,;21.34,-.31,;22.67,-2.62,;24.01,-1.85,;24.01,-3.39,;22.67,-4.16,;22.67,-5.7,;21.34,-6.47,;21.34,-8.01,;20.01,-8.78,;22.67,-8.78,;25.34,-2.62,;25.34,-4.16,;26.67,-1.85,;28,-2.62,;28,-4.16,;29.34,-4.93,;30.57,-4,;31.84,-4.87,;31.39,-6.35,;32.19,-7.66,;31.45,-9,;29.91,-9.03,;29.11,-7.72,;29.86,-6.37,;29.34,-1.84,;30.68,-2.6,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-39(58)52-35(23-29-11-3-1-4-12-29)43(62)55(26-30-13-5-2-6-14-30)28-40(59)51-34(17-10-20-49-44(46)47)41(60)53-36(42(54)61)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,59)(H,52,58)(H,53,60)(H4,46,47,49)/t34-,35-,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310318
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:27.28,38.40,wD:49.51,(8.11,-.38,;6.78,-1.16,;6.78,-2.7,;5.44,-.39,;4.12,-1.16,;2.78,-.4,;2.77,1.14,;1.39,3.51,;.06,4.27,;.05,5.81,;-1.27,3.49,;-2.61,4.25,;-3.94,3.47,;-3.93,1.93,;-2.59,1.17,;-5.26,1.15,;-6.6,1.92,;-6.61,3.46,;-5.27,4.23,;-5.28,5.77,;-6.62,6.53,;-7.96,5.74,;-7.94,4.21,;-5.25,-.39,;-6.58,-1.16,;-7.91,-.4,;-6.56,-2.7,;-5.22,-3.48,;-5.24,-5.02,;-6.58,-5.77,;-7.9,-4.98,;-9.24,-5.73,;-9.26,-7.27,;-7.93,-8.06,;-6.59,-7.3,;-3.89,-2.71,;-3.89,-1.17,;-2.55,-3.48,;-1.21,-2.71,;-1.21,-4.25,;-2.55,-5.02,;-2.55,-6.56,;-3.88,-7.33,;-3.88,-8.87,;-5.22,-9.64,;-2.55,-9.64,;.11,-3.48,;.11,-5.02,;1.45,-2.71,;2.78,-3.48,;2.78,-5.02,;4.12,-5.79,;5.35,-4.86,;6.62,-5.74,;6.17,-7.21,;6.96,-8.52,;6.23,-9.86,;4.68,-9.9,;3.89,-8.58,;4.63,-7.24,;4.12,-2.7,;5.46,-3.47,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-40(59)55(26-30-13-5-2-6-14-30)28-39(58)51-35(23-29-11-3-1-4-12-29)42(61)52-34(17-10-20-49-44(46)47)41(60)53-36(43(54)62)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H4,46,47,49)/t34-,35+,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310319
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:37.39,wD:48.50,(37.65,-41.43,;36.31,-42.2,;36.32,-43.74,;34.98,-41.43,;33.66,-42.2,;32.32,-41.43,;32.31,-39.89,;28.27,-39.09,;28.26,-37.55,;29.59,-36.77,;26.92,-36.78,;25.59,-37.57,;25.6,-39.11,;26.94,-39.86,;24.27,-39.88,;22.94,-39.13,;22.93,-37.59,;24.26,-36.81,;24.25,-35.27,;22.91,-34.5,;21.58,-35.3,;21.59,-36.83,;24.28,-41.43,;22.95,-42.21,;21.62,-41.44,;22.96,-43.75,;21.64,-44.52,;20.3,-43.75,;20.3,-42.22,;18.96,-41.44,;17.63,-42.22,;17.64,-43.77,;18.97,-44.53,;24.31,-44.53,;25.65,-43.76,;25.65,-42.22,;26.98,-44.53,;28.32,-43.76,;28.32,-45.3,;26.99,-46.07,;26.99,-47.61,;25.65,-48.38,;25.65,-49.92,;24.31,-50.69,;26.99,-50.69,;29.65,-44.53,;29.65,-46.07,;30.98,-43.76,;32.32,-44.53,;32.32,-46.07,;33.66,-46.83,;34.89,-45.9,;36.16,-46.79,;35.71,-48.26,;36.5,-49.57,;35.76,-50.91,;34.22,-50.94,;33.42,-49.63,;34.17,-48.28,;33.66,-43.74,;34.99,-44.51,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-52-21-20-47-37(56)17-18-39(58)54(25-30-12-5-2-6-13-30)28-40(59)53(24-29-10-3-1-4-11-29)27-38(57)50-34(16-9-19-48-43(45)46)41(60)51-35(42(52)61)22-31-23-49-33-15-8-7-14-32(31)33/h1-8,10-15,23,34-35,49H,9,16-22,24-28H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H4,45,46,48)/t34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310320
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:15.15,37.39,wD:48.50,(10.67,-40.67,;9.34,-41.45,;9.34,-42.99,;8,-40.68,;6.68,-41.45,;5.34,-40.68,;5.34,-39.14,;1.3,-38.33,;1.29,-36.79,;2.61,-36.02,;-.05,-36.03,;-1.38,-36.81,;-1.37,-38.35,;-.03,-39.11,;-2.7,-39.13,;-2.69,-40.67,;-4.03,-39.89,;-4.04,-38.35,;-2.71,-37.59,;-2.72,-36.05,;-4.06,-35.28,;-5.39,-36.07,;-5.37,-37.61,;-4.02,-41.45,;-5.36,-40.69,;-4.01,-43,;-5.34,-43.77,;-6.68,-43,;-6.68,-41.46,;-8.01,-40.7,;-9.35,-41.47,;-9.34,-43.02,;-8,-43.78,;-2.67,-43.77,;-1.33,-43.01,;-1.33,-41.46,;.01,-43.77,;1.35,-43.01,;1.35,-44.55,;.01,-45.31,;.01,-46.85,;-1.33,-47.63,;-1.33,-49.17,;-2.66,-49.94,;.01,-49.94,;2.67,-43.77,;2.67,-45.31,;4.01,-43.01,;5.34,-43.77,;5.34,-45.31,;6.68,-46.09,;7.92,-45.15,;9.18,-46.03,;8.73,-47.5,;9.53,-48.81,;8.79,-50.16,;7.24,-50.19,;6.45,-48.87,;7.2,-47.53,;6.68,-42.99,;8.02,-43.75,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-38(57)51-34(22-28-10-3-1-4-11-28)42(61)54(25-29-12-5-2-6-13-29)27-39(58)50-33(16-9-19-48-43(45)46)40(59)52-35(41(53)60)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,48)/t33-,34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310321
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:26.27,37.39,wD:48.50,(41.43,-22.54,;40.1,-23.3,;40.1,-24.84,;38.77,-22.54,;37.44,-23.31,;36.1,-22.54,;36.09,-21,;32.06,-20.2,;32.05,-18.66,;33.38,-17.87,;30.7,-17.89,;29.37,-18.67,;29.39,-20.21,;30.73,-20.97,;28.05,-20.99,;26.72,-20.23,;26.71,-18.69,;28.05,-17.92,;28.04,-16.38,;26.69,-15.61,;25.36,-16.4,;25.38,-17.94,;28.07,-22.54,;26.74,-23.31,;25.4,-22.55,;26.75,-24.85,;28.09,-25.64,;28.08,-27.17,;26.74,-27.92,;25.41,-27.13,;24.07,-27.88,;24.05,-29.43,;25.38,-30.21,;26.72,-29.46,;29.43,-24.86,;29.43,-23.32,;30.76,-25.64,;32.11,-24.86,;32.11,-26.4,;30.77,-27.18,;30.77,-28.72,;29.43,-29.49,;29.43,-31.03,;28.1,-31.8,;30.77,-31.8,;33.43,-25.64,;33.43,-27.18,;34.77,-24.86,;36.1,-25.64,;36.1,-27.18,;37.44,-27.94,;38.67,-27.01,;39.94,-27.89,;39.49,-29.36,;40.29,-30.68,;39.55,-32.02,;38,-32.05,;37.21,-30.74,;37.95,-29.39,;37.44,-24.85,;38.78,-25.62,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-39(58)54(25-29-12-5-2-6-13-29)27-38(57)50-34(22-28-10-3-1-4-11-28)41(60)51-33(16-9-19-48-43(45)46)40(59)52-35(42(53)61)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H,52,59)(H4,45,46,48)/t33-,34+,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310322
((S)-2-(2-((S)-2-(2-acetamidoacetamido)-N-benzyl-3-...)Show SMILES CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,8.7,wD:34.34,(23.52,-9.64,;24.85,-10.41,;24.85,-11.95,;26.18,-9.64,;27.52,-10.41,;28.85,-9.64,;28.85,-8.1,;30.18,-10.41,;31.52,-9.64,;31.52,-8.09,;30.75,-6.75,;31.53,-5.42,;30.77,-4.08,;29.22,-4.07,;28.44,-5.42,;29.22,-6.75,;32.85,-10.41,;32.85,-11.95,;34.19,-9.64,;35.52,-10.41,;36.85,-9.64,;36.85,-8.1,;38.19,-10.41,;39.52,-9.64,;39.52,-8.1,;40.85,-7.33,;40.85,-5.79,;42.19,-5.02,;42.19,-3.48,;43.52,-2.71,;40.85,-2.71,;40.85,-10.41,;40.85,-11.95,;42.19,-9.64,;43.52,-10.41,;43.52,-11.95,;44.86,-12.72,;46.09,-11.78,;47.36,-12.66,;46.91,-14.13,;47.7,-15.44,;46.97,-16.79,;45.42,-16.82,;44.63,-15.5,;45.37,-14.16,;44.86,-9.64,;44.86,-8.1,;46.19,-10.41,;47.52,-9.64,;48.86,-10.41,;50.19,-9.64,;48.86,-11.95,;34.18,-8.09,;34.94,-6.75,;36.48,-6.75,;37.24,-5.41,;36.46,-4.08,;34.92,-4.09,;34.16,-5.43,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-36(55)50-34(19-27-11-4-2-5-12-27)40(59)52(24-28-13-6-3-7-14-28)25-37(56)49-32(17-10-18-45-41(43)44)39(58)51-33(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,45)/t32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310323
((S)-2-((R)-2-(2-(2-acetamido-N-benzylacetamido)ace...)Show SMILES CC(=O)NCC(=O)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,12.11,wD:34.34,(-10.03,-9.43,;-8.69,-10.2,;-8.69,-11.74,;-7.36,-9.43,;-6.02,-10.2,;-4.69,-9.43,;-4.69,-7.89,;-3.35,-10.2,;-2.02,-9.43,;-.69,-10.2,;-.69,-11.74,;.64,-9.43,;1.98,-10.2,;1.98,-11.74,;3.31,-12.51,;3.31,-14.06,;4.64,-14.82,;5.98,-14.06,;5.97,-12.51,;4.64,-11.74,;3.31,-9.43,;3.31,-7.89,;4.65,-10.2,;5.98,-9.43,;5.98,-7.89,;7.31,-7.1,;7.29,-5.56,;5.95,-4.81,;5.93,-3.29,;4.58,-2.53,;7.25,-2.5,;7.32,-10.2,;7.32,-11.74,;8.65,-9.43,;9.98,-10.2,;9.98,-11.74,;11.32,-12.51,;12.55,-11.58,;13.82,-12.46,;13.38,-13.93,;14.16,-15.24,;13.43,-16.59,;11.89,-16.62,;11.09,-15.3,;11.84,-13.96,;11.32,-9.43,;11.32,-7.89,;12.65,-10.2,;13.99,-9.43,;15.32,-10.2,;16.65,-9.43,;15.32,-11.74,;-3.35,-11.74,;-4.69,-12.51,;-6.02,-11.73,;-7.35,-12.5,;-7.35,-14.05,;-6.01,-14.81,;-4.68,-14.04,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-37(56)52(24-28-13-6-3-7-14-28)25-36(55)49-33(19-27-11-4-2-5-12-27)40(59)50-32(17-10-18-45-41(43)44)39(58)51-34(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,55)(H,50,59)(H,51,58)(H4,43,44,45)/t32-,33+,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310324
(CHEMBL589515 | Phe-D-Phe-Arg-Trp-NH2)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:34.35,wD:1.0,12.12,23.24,(-11.51,1.41,;-10.19,.63,;-10.2,-.91,;-8.88,-1.7,;-8.89,-3.23,;-7.56,-4.02,;-6.22,-3.26,;-6.21,-1.72,;-7.54,-.94,;-8.85,1.38,;-8.83,2.93,;-7.52,.6,;-6.18,1.36,;-6.16,2.9,;-4.82,3.66,;-4.81,5.2,;-3.47,5.96,;-2.14,5.17,;-2.16,3.63,;-3.5,2.88,;-4.85,.58,;-4.87,-.96,;-3.51,1.33,;-2.19,.55,;-2.2,-.99,;-.88,-1.77,;-.89,-3.31,;.44,-4.1,;.43,-5.63,;1.75,-6.42,;-.91,-6.39,;-.84,1.31,;-.82,2.85,;.48,.52,;1.83,1.28,;1.85,2.83,;3.18,3.58,;4.44,2.69,;5.67,3.61,;5.18,5.07,;5.93,6.41,;5.15,7.75,;3.61,7.73,;2.86,6.38,;3.64,5.05,;3.15,.51,;4.5,1.26,;3.14,-1.04,)| Show InChI InChI=1S/C35H43N9O4/c36-26(18-22-10-3-1-4-11-22)32(46)44-30(19-23-12-5-2-6-13-23)34(48)42-28(16-9-17-40-35(38)39)33(47)43-29(31(37)45)20-24-21-41-27-15-8-7-14-25(24)27/h1-8,10-15,21,26,28-30,41H,9,16-20,36H2,(H2,37,45)(H,42,48)(H,43,47)(H,44,46)(H4,38,39,40)/t26-,28-,29-,30+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310320
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:15.15,37.39,wD:48.50,(10.67,-40.67,;9.34,-41.45,;9.34,-42.99,;8,-40.68,;6.68,-41.45,;5.34,-40.68,;5.34,-39.14,;1.3,-38.33,;1.29,-36.79,;2.61,-36.02,;-.05,-36.03,;-1.38,-36.81,;-1.37,-38.35,;-.03,-39.11,;-2.7,-39.13,;-2.69,-40.67,;-4.03,-39.89,;-4.04,-38.35,;-2.71,-37.59,;-2.72,-36.05,;-4.06,-35.28,;-5.39,-36.07,;-5.37,-37.61,;-4.02,-41.45,;-5.36,-40.69,;-4.01,-43,;-5.34,-43.77,;-6.68,-43,;-6.68,-41.46,;-8.01,-40.7,;-9.35,-41.47,;-9.34,-43.02,;-8,-43.78,;-2.67,-43.77,;-1.33,-43.01,;-1.33,-41.46,;.01,-43.77,;1.35,-43.01,;1.35,-44.55,;.01,-45.31,;.01,-46.85,;-1.33,-47.63,;-1.33,-49.17,;-2.66,-49.94,;.01,-49.94,;2.67,-43.77,;2.67,-45.31,;4.01,-43.01,;5.34,-43.77,;5.34,-45.31,;6.68,-46.09,;7.92,-45.15,;9.18,-46.03,;8.73,-47.5,;9.53,-48.81,;8.79,-50.16,;7.24,-50.19,;6.45,-48.87,;7.2,-47.53,;6.68,-42.99,;8.02,-43.75,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-38(57)51-34(22-28-10-3-1-4-11-28)42(61)54(25-29-12-5-2-6-13-29)27-39(58)50-33(16-9-19-48-43(45)46)40(59)52-35(41(53)60)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,48)/t33-,34-,35-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.96E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310319
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:37.39,wD:48.50,(37.65,-41.43,;36.31,-42.2,;36.32,-43.74,;34.98,-41.43,;33.66,-42.2,;32.32,-41.43,;32.31,-39.89,;28.27,-39.09,;28.26,-37.55,;29.59,-36.77,;26.92,-36.78,;25.59,-37.57,;25.6,-39.11,;26.94,-39.86,;24.27,-39.88,;22.94,-39.13,;22.93,-37.59,;24.26,-36.81,;24.25,-35.27,;22.91,-34.5,;21.58,-35.3,;21.59,-36.83,;24.28,-41.43,;22.95,-42.21,;21.62,-41.44,;22.96,-43.75,;21.64,-44.52,;20.3,-43.75,;20.3,-42.22,;18.96,-41.44,;17.63,-42.22,;17.64,-43.77,;18.97,-44.53,;24.31,-44.53,;25.65,-43.76,;25.65,-42.22,;26.98,-44.53,;28.32,-43.76,;28.32,-45.3,;26.99,-46.07,;26.99,-47.61,;25.65,-48.38,;25.65,-49.92,;24.31,-50.69,;26.99,-50.69,;29.65,-44.53,;29.65,-46.07,;30.98,-43.76,;32.32,-44.53,;32.32,-46.07,;33.66,-46.83,;34.89,-45.9,;36.16,-46.79,;35.71,-48.26,;36.5,-49.57,;35.76,-50.91,;34.22,-50.94,;33.42,-49.63,;34.17,-48.28,;33.66,-43.74,;34.99,-44.51,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-52-21-20-47-37(56)17-18-39(58)54(25-30-12-5-2-6-13-30)28-40(59)53(24-29-10-3-1-4-11-29)27-38(57)50-34(16-9-19-48-43(45)46)41(60)51-35(42(52)61)22-31-23-49-33-15-8-7-14-32(31)33/h1-8,10-15,23,34-35,49H,9,16-22,24-28H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H4,45,46,48)/t34-,35-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310323
((S)-2-((R)-2-(2-(2-acetamido-N-benzylacetamido)ace...)Show SMILES CC(=O)NCC(=O)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,12.11,wD:34.34,(-10.03,-9.43,;-8.69,-10.2,;-8.69,-11.74,;-7.36,-9.43,;-6.02,-10.2,;-4.69,-9.43,;-4.69,-7.89,;-3.35,-10.2,;-2.02,-9.43,;-.69,-10.2,;-.69,-11.74,;.64,-9.43,;1.98,-10.2,;1.98,-11.74,;3.31,-12.51,;3.31,-14.06,;4.64,-14.82,;5.98,-14.06,;5.97,-12.51,;4.64,-11.74,;3.31,-9.43,;3.31,-7.89,;4.65,-10.2,;5.98,-9.43,;5.98,-7.89,;7.31,-7.1,;7.29,-5.56,;5.95,-4.81,;5.93,-3.29,;4.58,-2.53,;7.25,-2.5,;7.32,-10.2,;7.32,-11.74,;8.65,-9.43,;9.98,-10.2,;9.98,-11.74,;11.32,-12.51,;12.55,-11.58,;13.82,-12.46,;13.38,-13.93,;14.16,-15.24,;13.43,-16.59,;11.89,-16.62,;11.09,-15.3,;11.84,-13.96,;11.32,-9.43,;11.32,-7.89,;12.65,-10.2,;13.99,-9.43,;15.32,-10.2,;16.65,-9.43,;15.32,-11.74,;-3.35,-11.74,;-4.69,-12.51,;-6.02,-11.73,;-7.35,-12.5,;-7.35,-14.05,;-6.01,-14.81,;-4.68,-14.04,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-37(56)52(24-28-13-6-3-7-14-28)25-36(55)49-33(19-27-11-4-2-5-12-27)40(59)50-32(17-10-18-45-41(43)44)39(58)51-34(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,55)(H,50,59)(H,51,58)(H4,43,44,45)/t32-,33+,34-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.43E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310321
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:26.27,37.39,wD:48.50,(41.43,-22.54,;40.1,-23.3,;40.1,-24.84,;38.77,-22.54,;37.44,-23.31,;36.1,-22.54,;36.09,-21,;32.06,-20.2,;32.05,-18.66,;33.38,-17.87,;30.7,-17.89,;29.37,-18.67,;29.39,-20.21,;30.73,-20.97,;28.05,-20.99,;26.72,-20.23,;26.71,-18.69,;28.05,-17.92,;28.04,-16.38,;26.69,-15.61,;25.36,-16.4,;25.38,-17.94,;28.07,-22.54,;26.74,-23.31,;25.4,-22.55,;26.75,-24.85,;28.09,-25.64,;28.08,-27.17,;26.74,-27.92,;25.41,-27.13,;24.07,-27.88,;24.05,-29.43,;25.38,-30.21,;26.72,-29.46,;29.43,-24.86,;29.43,-23.32,;30.76,-25.64,;32.11,-24.86,;32.11,-26.4,;30.77,-27.18,;30.77,-28.72,;29.43,-29.49,;29.43,-31.03,;28.1,-31.8,;30.77,-31.8,;33.43,-25.64,;33.43,-27.18,;34.77,-24.86,;36.1,-25.64,;36.1,-27.18,;37.44,-27.94,;38.67,-27.01,;39.94,-27.89,;39.49,-29.36,;40.29,-30.68,;39.55,-32.02,;38,-32.05,;37.21,-30.74,;37.95,-29.39,;37.44,-24.85,;38.78,-25.62,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-39(58)54(25-29-12-5-2-6-13-29)27-38(57)50-34(22-28-10-3-1-4-11-28)41(60)51-33(16-9-19-48-43(45)46)40(59)52-35(42(53)61)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H,52,59)(H4,45,46,48)/t33-,34+,35-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310317
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:16.16,38.40,wD:49.51,(33.33,.48,;32,-.29,;32,-1.83,;30.67,.48,;29.34,-.3,;28,.47,;28,2.01,;26.62,4.37,;25.28,5.13,;25.27,6.67,;23.95,4.35,;22.61,5.12,;21.28,4.34,;21.29,2.8,;22.63,2.04,;19.97,2.02,;19.98,.48,;18.64,1.25,;18.63,2.79,;19.96,3.56,;19.95,5.1,;18.61,5.87,;17.28,5.08,;17.29,3.54,;18.65,-.3,;17.31,.46,;18.66,-1.84,;17.33,-2.61,;15.99,-1.85,;15.99,-.31,;14.66,.46,;13.33,-.32,;13.33,-1.87,;14.67,-2.63,;20,-2.62,;21.34,-1.85,;21.34,-.31,;22.67,-2.62,;24.01,-1.85,;24.01,-3.39,;22.67,-4.16,;22.67,-5.7,;21.34,-6.47,;21.34,-8.01,;20.01,-8.78,;22.67,-8.78,;25.34,-2.62,;25.34,-4.16,;26.67,-1.85,;28,-2.62,;28,-4.16,;29.34,-4.93,;30.57,-4,;31.84,-4.87,;31.39,-6.35,;32.19,-7.66,;31.45,-9,;29.91,-9.03,;29.11,-7.72,;29.86,-6.37,;29.34,-1.84,;30.68,-2.6,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-39(58)52-35(23-29-11-3-1-4-12-29)43(62)55(26-30-13-5-2-6-14-30)28-40(59)51-34(17-10-20-49-44(46)47)41(60)53-36(42(54)61)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,59)(H,52,58)(H,53,60)(H4,46,47,49)/t34-,35-,36-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.32E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310318
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:27.28,38.40,wD:49.51,(8.11,-.38,;6.78,-1.16,;6.78,-2.7,;5.44,-.39,;4.12,-1.16,;2.78,-.4,;2.77,1.14,;1.39,3.51,;.06,4.27,;.05,5.81,;-1.27,3.49,;-2.61,4.25,;-3.94,3.47,;-3.93,1.93,;-2.59,1.17,;-5.26,1.15,;-6.6,1.92,;-6.61,3.46,;-5.27,4.23,;-5.28,5.77,;-6.62,6.53,;-7.96,5.74,;-7.94,4.21,;-5.25,-.39,;-6.58,-1.16,;-7.91,-.4,;-6.56,-2.7,;-5.22,-3.48,;-5.24,-5.02,;-6.58,-5.77,;-7.9,-4.98,;-9.24,-5.73,;-9.26,-7.27,;-7.93,-8.06,;-6.59,-7.3,;-3.89,-2.71,;-3.89,-1.17,;-2.55,-3.48,;-1.21,-2.71,;-1.21,-4.25,;-2.55,-5.02,;-2.55,-6.56,;-3.88,-7.33,;-3.88,-8.87,;-5.22,-9.64,;-2.55,-9.64,;.11,-3.48,;.11,-5.02,;1.45,-2.71,;2.78,-3.48,;2.78,-5.02,;4.12,-5.79,;5.35,-4.86,;6.62,-5.74,;6.17,-7.21,;6.96,-8.52,;6.23,-9.86,;4.68,-9.9,;3.89,-8.58,;4.63,-7.24,;4.12,-2.7,;5.46,-3.47,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-40(59)55(26-30-13-5-2-6-14-30)28-39(58)51-35(23-29-11-3-1-4-12-29)42(61)52-34(17-10-20-49-44(46)47)41(60)53-36(43(54)62)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H4,46,47,49)/t34-,35+,36-/m0/s1 | UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310314
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:39.41,wD:50.52,(34.73,-38.76,;33.39,-39.53,;33.4,-41.07,;32.06,-38.76,;30.73,-39.54,;29.4,-38.77,;29.36,-37.17,;28.02,-36.41,;28.01,-34.87,;29.34,-34.09,;26.67,-34.1,;25.34,-34.88,;24,-34.12,;22.68,-34.9,;22.69,-36.44,;24.03,-37.2,;21.36,-37.22,;20.02,-36.46,;20.01,-34.92,;21.34,-34.15,;21.33,-32.61,;19.99,-31.85,;18.66,-32.63,;18.68,-34.17,;21.37,-38.76,;20.04,-39.54,;18.7,-38.78,;20.05,-41.08,;18.72,-41.85,;17.38,-41.09,;17.39,-39.55,;16.05,-38.78,;14.72,-39.56,;14.73,-41.1,;16.06,-41.86,;21.39,-41.86,;22.73,-41.09,;22.73,-39.55,;24.06,-41.86,;25.4,-41.09,;25.4,-42.63,;24.07,-43.4,;24.07,-44.94,;22.73,-45.71,;22.73,-47.25,;21.4,-48.02,;24.07,-48.02,;26.73,-41.86,;26.73,-43.4,;28.06,-41.09,;29.4,-41.86,;29.4,-43.4,;30.73,-44.17,;31.97,-43.23,;33.23,-44.11,;32.79,-45.59,;33.58,-46.9,;32.84,-48.24,;31.3,-48.27,;30.51,-46.96,;31.25,-45.61,;30.74,-41.08,;32.07,-41.84,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-54-23-22-49-39(58)19-9-10-20-41(60)56(27-32-14-5-2-6-15-32)30-42(61)55(26-31-12-3-1-4-13-31)29-40(59)52-36(18-11-21-50-45(47)48)43(62)53-37(44(54)63)24-33-25-51-35-17-8-7-16-34(33)35/h1-8,12-17,25,36-37,51H,9-11,18-24,26-30H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H4,47,48,50)/t36-,37-/m0/s1 | UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310315
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-40(59)53-36(24-30-12-3-1-4-13-30)44(63)56(27-31-14-5-2-6-15-31)29-41(60)52-35(18-11-21-50-45(47)48)42(61)54-37(43(55)62)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,60)(H,53,59)(H,54,61)(H4,47,48,50)/t35-,36-,37-/m0/s1 | UniProtKB/SwissProt
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 485 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310316
(2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...)Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:38.40,wD:49.51,(10.15,-18.94,;8.82,-19.71,;8.82,-21.25,;7.48,-18.95,;6.15,-19.72,;4.82,-18.95,;4.81,-17.41,;3.43,-15.05,;2.09,-14.29,;2.08,-12.75,;.77,-15.07,;-.57,-14.31,;-1.9,-15.08,;-1.89,-16.62,;-.55,-17.39,;-3.22,-17.4,;-4.56,-16.64,;-4.57,-15.1,;-3.23,-14.33,;-3.24,-12.79,;-4.58,-12.03,;-5.92,-12.82,;-5.9,-14.35,;-3.21,-18.94,;-4.54,-19.72,;-5.88,-18.96,;-4.53,-21.26,;-5.86,-22.04,;-7.19,-21.27,;-7.19,-19.73,;-8.53,-18.97,;-9.86,-19.74,;-9.85,-21.29,;-8.52,-22.05,;-3.18,-22.04,;-1.85,-21.27,;-1.85,-19.73,;-.52,-22.04,;.82,-21.27,;.82,-22.81,;-.51,-23.58,;-.51,-25.12,;-1.84,-25.89,;-1.84,-27.43,;-3.18,-28.2,;-.51,-28.2,;2.15,-22.04,;2.15,-23.58,;3.49,-21.27,;4.82,-22.04,;4.82,-23.58,;6.16,-24.35,;7.39,-23.42,;8.65,-24.3,;8.21,-25.77,;9,-27.08,;8.26,-28.42,;6.72,-28.46,;5.93,-27.14,;6.67,-25.8,;6.16,-21.26,;7.5,-22.02,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-53-22-21-48-38(57)18-9-19-40(59)55(26-31-13-5-2-6-14-31)29-41(60)54(25-30-11-3-1-4-12-30)28-39(58)51-35(17-10-20-49-44(46)47)42(61)52-36(43(53)62)23-32-24-50-34-16-8-7-15-33(32)34/h1-8,11-16,24,35-36,50H,9-10,17-23,25-29H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H4,46,47,49)/t35-,36-/m0/s1 | UniProtKB/SwissProt
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UniChem
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| Article
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| n/a | n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50310325
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:28.29,39.41,wD:50.52,(33.21,-20.02,;31.88,-20.79,;31.88,-22.33,;30.54,-20.03,;29.22,-20.8,;27.88,-20.04,;27.87,-18.5,;26.54,-17.73,;26.49,-16.13,;27.82,-15.35,;25.16,-15.37,;23.83,-16.15,;22.49,-15.39,;21.16,-16.17,;21.17,-17.71,;22.51,-18.47,;19.84,-18.48,;18.5,-17.72,;18.49,-16.18,;19.83,-15.41,;19.82,-13.87,;18.48,-13.11,;17.14,-13.9,;17.16,-15.43,;19.85,-20.02,;18.52,-20.8,;17.18,-20.04,;18.53,-22.34,;19.88,-23.12,;19.86,-24.66,;18.52,-25.41,;17.2,-24.62,;15.86,-25.37,;15.84,-26.91,;17.17,-27.7,;18.51,-26.94,;21.21,-22.35,;21.21,-20.81,;22.55,-23.12,;23.88,-22.35,;23.88,-23.89,;22.55,-24.66,;22.55,-26.2,;21.22,-26.97,;21.22,-28.51,;19.88,-29.28,;22.55,-29.28,;25.21,-23.12,;25.21,-24.66,;26.55,-22.35,;27.88,-23.12,;27.88,-24.66,;29.22,-25.43,;30.45,-24.5,;31.71,-25.38,;31.27,-26.85,;32.06,-28.16,;31.32,-29.5,;29.78,-29.54,;28.99,-28.22,;29.73,-26.88,;29.22,-22.34,;30.56,-23.11,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-41(60)56(27-31-14-5-2-6-15-31)29-40(59)52-36(24-30-12-3-1-4-13-30)43(62)53-35(18-11-21-50-45(47)48)42(61)54-37(44(55)63)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H,54,61)(H4,47,48,50)/t35-,36+,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | 7.17E+3 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310324
(CHEMBL589515 | Phe-D-Phe-Arg-Trp-NH2)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:34.35,wD:1.0,12.12,23.24,(-11.51,1.41,;-10.19,.63,;-10.2,-.91,;-8.88,-1.7,;-8.89,-3.23,;-7.56,-4.02,;-6.22,-3.26,;-6.21,-1.72,;-7.54,-.94,;-8.85,1.38,;-8.83,2.93,;-7.52,.6,;-6.18,1.36,;-6.16,2.9,;-4.82,3.66,;-4.81,5.2,;-3.47,5.96,;-2.14,5.17,;-2.16,3.63,;-3.5,2.88,;-4.85,.58,;-4.87,-.96,;-3.51,1.33,;-2.19,.55,;-2.2,-.99,;-.88,-1.77,;-.89,-3.31,;.44,-4.1,;.43,-5.63,;1.75,-6.42,;-.91,-6.39,;-.84,1.31,;-.82,2.85,;.48,.52,;1.83,1.28,;1.85,2.83,;3.18,3.58,;4.44,2.69,;5.67,3.61,;5.18,5.07,;5.93,6.41,;5.15,7.75,;3.61,7.73,;2.86,6.38,;3.64,5.05,;3.15,.51,;4.5,1.26,;3.14,-1.04,)| Show InChI InChI=1S/C35H43N9O4/c36-26(18-22-10-3-1-4-11-22)32(46)44-30(19-23-12-5-2-6-13-23)34(48)42-28(16-9-17-40-35(38)39)33(47)43-29(31(37)45)20-24-21-41-27-15-8-7-14-25(24)27/h1-8,10-15,21,26,28-30,41H,9,16-20,36H2,(H2,37,45)(H,42,48)(H,43,47)(H,44,46)(H4,38,39,40)/t26-,28-,29-,30+/m0/s1 | UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 143 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310322
((S)-2-(2-((S)-2-(2-acetamidoacetamido)-N-benzyl-3-...)Show SMILES CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,8.7,wD:34.34,(23.52,-9.64,;24.85,-10.41,;24.85,-11.95,;26.18,-9.64,;27.52,-10.41,;28.85,-9.64,;28.85,-8.1,;30.18,-10.41,;31.52,-9.64,;31.52,-8.09,;30.75,-6.75,;31.53,-5.42,;30.77,-4.08,;29.22,-4.07,;28.44,-5.42,;29.22,-6.75,;32.85,-10.41,;32.85,-11.95,;34.19,-9.64,;35.52,-10.41,;36.85,-9.64,;36.85,-8.1,;38.19,-10.41,;39.52,-9.64,;39.52,-8.1,;40.85,-7.33,;40.85,-5.79,;42.19,-5.02,;42.19,-3.48,;43.52,-2.71,;40.85,-2.71,;40.85,-10.41,;40.85,-11.95,;42.19,-9.64,;43.52,-10.41,;43.52,-11.95,;44.86,-12.72,;46.09,-11.78,;47.36,-12.66,;46.91,-14.13,;47.7,-15.44,;46.97,-16.79,;45.42,-16.82,;44.63,-15.5,;45.37,-14.16,;44.86,-9.64,;44.86,-8.1,;46.19,-10.41,;47.52,-9.64,;48.86,-10.41,;50.19,-9.64,;48.86,-11.95,;34.18,-8.09,;34.94,-6.75,;36.48,-6.75,;37.24,-5.41,;36.46,-4.08,;34.92,-4.09,;34.16,-5.43,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-36(55)50-34(19-27-11-4-2-5-12-27)40(59)52(24-28-13-6-3-7-14-28)25-37(56)49-32(17-10-18-45-41(43)44)39(58)51-33(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,45)/t32-,33-,34-/m0/s1 | UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50310325
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:28.29,39.41,wD:50.52,(33.21,-20.02,;31.88,-20.79,;31.88,-22.33,;30.54,-20.03,;29.22,-20.8,;27.88,-20.04,;27.87,-18.5,;26.54,-17.73,;26.49,-16.13,;27.82,-15.35,;25.16,-15.37,;23.83,-16.15,;22.49,-15.39,;21.16,-16.17,;21.17,-17.71,;22.51,-18.47,;19.84,-18.48,;18.5,-17.72,;18.49,-16.18,;19.83,-15.41,;19.82,-13.87,;18.48,-13.11,;17.14,-13.9,;17.16,-15.43,;19.85,-20.02,;18.52,-20.8,;17.18,-20.04,;18.53,-22.34,;19.88,-23.12,;19.86,-24.66,;18.52,-25.41,;17.2,-24.62,;15.86,-25.37,;15.84,-26.91,;17.17,-27.7,;18.51,-26.94,;21.21,-22.35,;21.21,-20.81,;22.55,-23.12,;23.88,-22.35,;23.88,-23.89,;22.55,-24.66,;22.55,-26.2,;21.22,-26.97,;21.22,-28.51,;19.88,-29.28,;22.55,-29.28,;25.21,-23.12,;25.21,-24.66,;26.55,-22.35,;27.88,-23.12,;27.88,-24.66,;29.22,-25.43,;30.45,-24.5,;31.71,-25.38,;31.27,-26.85,;32.06,-28.16,;31.32,-29.5,;29.78,-29.54,;28.99,-28.22,;29.73,-26.88,;29.22,-22.34,;30.56,-23.11,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-41(60)56(27-31-14-5-2-6-15-31)29-40(59)52-36(24-30-12-3-1-4-13-30)43(62)53-35(18-11-21-50-45(47)48)42(61)54-37(44(55)63)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H,54,61)(H4,47,48,50)/t35-,36+,37-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50310326
((S)-2-(2-(2-(2-acetamido-N-benzylacetamido)-N-benz...)Show SMILES CC(=O)NCC(=O)N(CC(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)Cc1ccccc1 |r,wU:16.15,wD:27.26,(-7.77,-25.68,;-6.43,-26.44,;-6.43,-27.98,;-5.1,-25.68,;-3.76,-26.44,;-2.43,-25.68,;-2.43,-24.14,;-1.09,-26.44,;.24,-25.68,;1.57,-26.44,;1.57,-27.98,;2.91,-25.68,;4.24,-26.44,;5.58,-25.68,;5.58,-24.14,;6.91,-26.44,;8.25,-25.68,;8.25,-24.14,;9.58,-23.36,;9.58,-21.82,;10.91,-21.05,;10.91,-19.51,;12.25,-18.74,;9.58,-18.74,;9.58,-26.44,;9.58,-27.98,;10.91,-25.68,;12.25,-26.44,;12.25,-27.98,;13.59,-28.76,;14.82,-27.82,;16.09,-28.7,;15.64,-30.18,;16.43,-31.49,;15.7,-32.83,;14.15,-32.87,;13.36,-31.55,;14.11,-30.2,;13.58,-25.68,;13.58,-24.14,;14.92,-26.44,;16.25,-25.68,;17.59,-26.44,;18.92,-25.68,;17.59,-27.98,;2.91,-24.14,;1.57,-23.36,;1.57,-21.82,;.25,-21.05,;-1.09,-21.82,;-1.08,-23.37,;.25,-24.13,;-1.09,-27.98,;-2.43,-28.76,;-3.76,-27.98,;-5.1,-28.75,;-5.1,-30.29,;-3.75,-31.06,;-2.42,-30.29,)| Show InChI InChI=1S/C41H51N11O7/c1-27(53)46-22-37(56)52(24-29-13-6-3-7-14-29)26-38(57)51(23-28-11-4-2-5-12-28)25-36(55)49-33(17-10-18-45-41(43)44)40(59)50-34(39(58)48-21-35(42)54)19-30-20-47-32-16-9-8-15-31(30)32/h2-9,11-16,20,33-34,47H,10,17-19,21-26H2,1H3,(H2,42,54)(H,46,53)(H,48,58)(H,49,55)(H,50,59)(H4,43,44,45)/t33-,34-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay |
Bioorg Med Chem 18: 580-9 (2010)
Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3 |
More data for this
Ligand-Target Pair | |
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