Found 140 hits Enz. Inhib. hit(s) with all data for entry = 50037655 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)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.560 | 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)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.570 | 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)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.630 | 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)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.630 | 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)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.630 | 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)) | BDBM50181497
(CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-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](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)| Show InChI InChI=1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.710 | 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 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)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.820 | 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)) | BDBM50181497
(CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-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](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)| Show InChI InChI=1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.920 | 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)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.970 | 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)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | 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)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | 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)) | BDBM50181497
(CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-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](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)| Show InChI InChI=1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | 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)) | BDBM50181497
(CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-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](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)| Show InChI InChI=1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | 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)) | BDBM50181497
(CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-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](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)| Show InChI InChI=1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PubMed
| 1.70 | 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)) | BDBM50181497
(CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-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](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)| Show InChI InChI=1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1 | PDB
KEGG
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PubMed
| 2.20 | 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)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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| 3.20 | 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)) | BDBM50181497
(CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-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](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)| Show InChI InChI=1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1 | PDB
KEGG
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PubMed
| 3.20 | 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)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
KEGG
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| 4.60 | 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)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
KEGG
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| 5 | 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)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
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| Article
PubMed
| 6.70 | 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)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
KEGG
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CHEMBL
PC cid
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| Article
PubMed
| 8.5 | 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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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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)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
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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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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| 9.30 | 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)) | BDBM50181497
(CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-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](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)| Show InChI InChI=1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1 | PDB
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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)) | BDBM50181497
(CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-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](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)| Show InChI InChI=1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1 | PDB
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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)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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| 22 | 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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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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
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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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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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)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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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)) | BDBM50181497
(CHEMBL267492 | c[Thr-Tyr-Thr-His-DNaf-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](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O |wU:66.71,26.28,8.102,95.104,2.2,52.56,78.96,89.98,wD:37.39,12.12,82.92,62.99,92.101,4.3,(23.3,-42.93,;23.33,-41.39,;22.01,-40.59,;20.66,-41.34,;22.04,-39.05,;23.39,-38.31,;24.71,-39.1,;24.68,-40.64,;26.05,-38.36,;27.37,-39.15,;28.72,-38.4,;28.75,-36.86,;30.04,-39.2,;30.01,-40.74,;31.33,-41.53,;30.59,-42.91,;31.65,-44.02,;33.03,-43.34,;34.46,-43.92,;35.67,-42.97,;35.46,-41.45,;34.04,-40.87,;32.82,-41.81,;31.39,-38.45,;32.71,-39.24,;32.68,-40.78,;34.05,-38.5,;35.37,-39.29,;36.72,-38.55,;38.04,-39.34,;39.39,-38.6,;40.71,-39.39,;42.05,-38.64,;40.68,-40.93,;34.08,-36.96,;35.43,-36.21,;36.75,-37.01,;35.46,-34.67,;36.8,-33.93,;38.12,-34.72,;38.09,-36.26,;39.4,-37.06,;40.75,-36.31,;40.77,-34.76,;42.1,-34.02,;42.12,-32.49,;40.8,-31.7,;39.48,-32.45,;39.46,-33.97,;34.14,-33.88,;34.16,-32.34,;35.51,-31.59,;32.84,-31.55,;32.87,-30.01,;34.22,-29.26,;35.61,-29.91,;36.68,-28.8,;35.94,-27.45,;34.4,-27.75,;31.5,-32.29,;30.18,-31.5,;30.21,-29.96,;28.83,-32.24,;27.51,-31.45,;26.16,-32.2,;26.14,-33.74,;24.84,-31.4,;24.87,-29.86,;26.22,-29.12,;27.54,-29.91,;28.88,-29.17,;28.91,-27.63,;30.26,-26.88,;27.58,-26.84,;26.24,-27.58,;23.5,-32.15,;22.18,-31.35,;22.2,-29.81,;20.83,-32.1,;20.8,-33.64,;19.27,-33.81,;18.34,-32.52,;18.66,-35.21,;17.16,-35.54,;17.02,-37.03,;18.44,-37.67,;19.46,-36.52,;20.72,-38.26,;19.37,-39.01,;19.73,-31,;18.24,-31.4,;20.13,-29.51,;28.8,-33.78,;27.46,-34.53,;30.12,-34.58,;26.08,-36.82,;24.76,-36.02,;27.43,-36.07,)| Show InChI InChI=1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1 | PDB
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| 40 | 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)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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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
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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)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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| 81 | 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
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| 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
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| 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
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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)) | BDBM50181498
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1 Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1 | PDB
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| 114 | 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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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| 116 | 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)) | BDBM50142895
(2-(2-(5-bromo-2-methoxyphenethyl)-3-fluorophenyl)-...)Show InChI InChI=1S/C18H18BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22) | PDB
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| 120 | 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)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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| 137 | 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)) | BDBM50142895
(2-(2-(5-bromo-2-methoxyphenethyl)-3-fluorophenyl)-...)Show InChI InChI=1S/C18H18BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22) | PDB
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| 151 | 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)) | BDBM50142895
(2-(2-(5-bromo-2-methoxyphenethyl)-3-fluorophenyl)-...)Show InChI InChI=1S/C18H18BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22) | PDB
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| 160 | 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
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| 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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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| 231 | 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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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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 | |
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