Found 20 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50181499' 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 |
|---|
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R F184A expressed in HEK293 cells |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human wild type MC4R expressed in HEK293 cells |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y268F expressed in HEK293 cells |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y287F expressed in HEK293 cells |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R I125A expressed in HEK293 cells |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 173 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R I291A expressed in HEK293 cells |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R F184L expressed in HEK293 cells |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R I129A expressed in HEK293 cells |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y268A expressed in HEK293 cells |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y287A expressed in HEK293 cells |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at the mutant MC4R Y287F expressed in HEK293 cells by cAMP accumulation |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at the mutant MC4R Y268F expressed in HEK293 cells by cAMP accumulation |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at the mutant MC4R I129A expressed in HEK293 cells by cAMP accumulation |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at the mutant MC4R Y268A expressed in HEK293 cells by cAMP accumulation |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 328 | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at the mutant MC4R Y287A expressed in HEK293 cells by cAMP accumulation |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 202 | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at the mutant MC4R I125A expressed in HEK293 cells by cAMP accumulation |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at the mutant MC4R I291A expressed in HEK293 cells by cAMP accumulation |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at the human wild type MC4R expressed in HEK293 cells by cAMP accumulation |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at the mutant MC4R F184A expressed in HEK293 cells by cAMP accumulation |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50181499
(CHEMBL438596 | c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-...)Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O |wU:62.66,26.28,80.89,8.96,90.98,74.79,2.2,48.51,wD:37.39,12.12,58.93,87.95,4.3,(-.04,-39.96,;-.01,-38.42,;-1.33,-37.63,;-2.68,-38.38,;-1.3,-36.09,;.04,-35.34,;1.36,-36.14,;1.34,-37.68,;2.71,-35.39,;4.03,-36.19,;5.38,-35.44,;5.41,-33.9,;6.7,-36.23,;6.67,-37.77,;7.99,-38.57,;7.25,-39.94,;8.31,-41.05,;9.69,-40.37,;11.12,-40.95,;12.33,-40.01,;12.12,-38.48,;10.7,-37.9,;9.48,-38.85,;8.05,-35.49,;9.36,-36.28,;9.34,-37.82,;10.71,-35.54,;12.03,-36.33,;13.38,-35.58,;14.7,-36.38,;16.05,-35.63,;17.37,-36.43,;18.71,-35.68,;17.34,-37.97,;10.74,-34,;12.09,-33.25,;13.41,-34.04,;12.11,-31.71,;13.46,-30.96,;14.78,-31.76,;14.74,-33.3,;16.06,-34.09,;17.41,-33.35,;17.44,-31.8,;16.12,-31.01,;10.8,-30.92,;10.82,-29.38,;12.17,-28.63,;9.5,-28.58,;9.53,-27.04,;10.88,-26.3,;12.27,-26.95,;13.34,-25.83,;12.6,-24.49,;11.06,-24.78,;8.16,-29.33,;6.84,-28.53,;6.86,-27,;5.49,-29.28,;4.17,-28.49,;2.82,-29.23,;2.79,-30.77,;1.5,-28.44,;1.53,-26.9,;2.88,-26.15,;4.19,-26.95,;5.54,-26.21,;5.57,-24.67,;6.92,-23.92,;4.24,-23.87,;2.9,-24.62,;.16,-29.18,;-1.16,-28.39,;-1.14,-26.85,;-2.51,-29.14,;-3.83,-28.34,;-3.8,-26.8,;-2.54,-30.68,;-4.07,-30.84,;-5,-29.56,;-4.68,-32.25,;-6.18,-32.58,;-6.32,-34.06,;-4.9,-34.71,;-3.89,-33.56,;-2.62,-35.3,;-3.97,-36.04,;5.46,-30.82,;4.11,-31.57,;6.78,-31.61,;2.74,-33.85,;1.42,-33.06,;4.09,-33.11,)| Show InChI InChI=1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 108 | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at the mutant MC4R F184L expressed in HEK293 cells by cAMP accumulation |
J Med Chem 49: 911-22 (2006)
Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX |
More data for this
Ligand-Target Pair | |
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