Found 58 hits of ic50 for UniProtKB: P56450 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocortin receptor 4
(Mus musculus) | BDBM50144869
(CHEMBL411775 | Tyr-c[Asp-His-DPhe-Arg-Trp-Asn-Ala-...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51+,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
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UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144869
(CHEMBL411775 | Tyr-c[Asp-His-DPhe-Arg-Trp-Asn-Ala-...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51+,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[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 |r| 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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PC cid
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| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[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 |r| 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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| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me... |
J Med Chem 63: 2194-2208 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00860
BindingDB Entry DOI: 10.7270/Q25142KG |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144877
(CHEMBL269274)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)NN(Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C176H251N55O48S16/c1-83(2)57-109-144(250)193-70-133(240)199-106(46-49-130(177)237)147(253)201-107(47-50-131(178)238)149(255)224-137(86(7)8)172(278)230-56-26-37-129(230)168(274)220-125-78-285-292-288-280-73-120(158(264)200-103(139(245)140(180)246)33-22-52-189-173(181)182)215-153(259)112(60-93-38-42-99(235)43-39-93)207-160(266)121-74-281-289-290-282-75-122(161(267)211-116(64-98-69-188-82-195-98)166(272)228-231(71-95-29-18-15-19-30-95)176(279)222-105(35-24-54-191-175(185)186)146(252)209-114(62-96-67-192-102-32-21-20-31-101(96)102)155(261)212-117(65-132(179)239)150(256)197-88(10)142(248)204-111(152(258)216-121)59-92-27-16-14-17-28-92)217-154(260)113(61-94-40-44-100(236)45-41-94)208-162(268)126-79-286-293-291-283-76-123(159(265)205-109)218-157(263)119(72-232)214-148(254)108(48-51-134(241)242)202-156(262)115(63-97-68-187-81-194-97)210-151(257)110(58-84(3)4)206-145(251)104(34-23-53-190-174(183)184)203-169(275)136(85(5)6)223-165(271)127(227-226-91(13)234)80-287-295-294-284-77-124(219-164(125)270)163(269)213-118(66-135(243)244)171(277)229-55-25-36-128(229)167(273)198-87(9)141(247)196-89(11)143(249)225-138(90(12)233)170(276)221-126/h14-21,27-32,38-45,67-69,81-90,103-129,136-138,192,227,232-233,235-236H,22-26,33-37,46-66,70-80H2,1-13H3,(H2,177,237)(H2,178,238)(H2,179,239)(H2,180,246)(H,187,194)(H,188,195)(H,193,250)(H,196,247)(H,197,256)(H,198,273)(H,199,240)(H,200,264)(H,201,253)(H,202,262)(H,203,275)(H,204,248)(H,205,265)(H,206,251)(H,207,266)(H,208,268)(H,209,252)(H,210,257)(H,211,267)(H,212,261)(H,213,269)(H,214,254)(H,215,259)(H,216,258)(H,217,260)(H,218,263)(H,219,270)(H,220,274)(H,221,276)(H,222,279)(H,223,271)(H,224,255)(H,225,249)(H,226,234)(H,228,272)(H,241,242)(H,243,244)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-/m0/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.46 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50258965
(CHEMBL4102048)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C49H64N12O8/c1-30-41(62)58-37(28-33-18-9-4-10-19-33)47(68)61-25-13-22-40(61)48(69)60-24-12-21-39(60)46(67)55-34(20-11-23-53-49(51)52)42(63)56-35(26-31-14-5-2-6-15-31)43(64)57-36(27-32-16-7-3-8-17-32)44(65)59-38(29-50)45(66)54-30/h2-10,14-19,30,34-40H,11-13,20-29,50H2,1H3,(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,58,62)(H,59,65)(H4,51,52,53)/t30-,34-,35-,36-,37-,38-,39-,40+/m0/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me... |
J Med Chem 63: 2194-2208 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00860
BindingDB Entry DOI: 10.7270/Q25142KG |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[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 |r| 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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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | 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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PubMed
| n/a | n/a | 4.22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-NDP-MSH; ND = not determined |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144877
(CHEMBL269274)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)NN(Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C176H251N55O48S16/c1-83(2)57-109-144(250)193-70-133(240)199-106(46-49-130(177)237)147(253)201-107(47-50-131(178)238)149(255)224-137(86(7)8)172(278)230-56-26-37-129(230)168(274)220-125-78-285-292-288-280-73-120(158(264)200-103(139(245)140(180)246)33-22-52-189-173(181)182)215-153(259)112(60-93-38-42-99(235)43-39-93)207-160(266)121-74-281-289-290-282-75-122(161(267)211-116(64-98-69-188-82-195-98)166(272)228-231(71-95-29-18-15-19-30-95)176(279)222-105(35-24-54-191-175(185)186)146(252)209-114(62-96-67-192-102-32-21-20-31-101(96)102)155(261)212-117(65-132(179)239)150(256)197-88(10)142(248)204-111(152(258)216-121)59-92-27-16-14-17-28-92)217-154(260)113(61-94-40-44-100(236)45-41-94)208-162(268)126-79-286-293-291-283-76-123(159(265)205-109)218-157(263)119(72-232)214-148(254)108(48-51-134(241)242)202-156(262)115(63-97-68-187-81-194-97)210-151(257)110(58-84(3)4)206-145(251)104(34-23-53-190-174(183)184)203-169(275)136(85(5)6)223-165(271)127(227-226-91(13)234)80-287-295-294-284-77-124(219-164(125)270)163(269)213-118(66-135(243)244)171(277)229-55-25-36-128(229)167(273)198-87(9)141(247)196-89(11)143(249)225-138(90(12)233)170(276)221-126/h14-21,27-32,38-45,67-69,81-90,103-129,136-138,192,227,232-233,235-236H,22-26,33-37,46-66,70-80H2,1-13H3,(H2,177,237)(H2,178,238)(H2,179,239)(H2,180,246)(H,187,194)(H,188,195)(H,193,250)(H,196,247)(H,197,256)(H,198,273)(H,199,240)(H,200,264)(H,201,253)(H,202,262)(H,203,275)(H,204,248)(H,205,265)(H,206,251)(H,207,266)(H,208,268)(H,209,252)(H,210,257)(H,211,267)(H,212,261)(H,213,269)(H,214,254)(H,215,259)(H,216,258)(H,217,260)(H,218,263)(H,219,270)(H,220,274)(H,221,276)(H,222,279)(H,223,271)(H,224,255)(H,225,249)(H,226,234)(H,228,272)(H,241,242)(H,243,244)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.45 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144871
(CHEMBL428134)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.74 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144882
(CHEMBL266288)Show SMILES CSCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N4)NC3=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2)C(C)C)[C@@H](C)O Show InChI InChI=1S/C217H327N65O62S21/c1-102(2)74-131-174(304)238-88-162(295)275-167(110(14)285)208(338)242-108(12)170(300)244-130(64-73-345-17)182(312)262-141(84-160(223)293)210(340)280-70-33-47-154(280)205(335)272-151(202(332)265-143(89-283)193(323)246-126(46-32-69-236-217(230)231)183(313)279-169(112(16)287)213(343)344)98-353-363-358-347-92-145-195(325)241-109(13)172(302)278-168(111(15)286)209(339)274-153-100-355-365-362-352-96-149-198(328)254-132(75-103(3)4)175(305)237-87-161(294)243-127(58-61-157(220)290)180(310)249-128(59-62-158(221)291)184(314)277-166(106(9)10)212(342)282-72-35-49-156(282)206(336)273-152(203(333)270-150(201(331)263-142(85-164(298)299)211(341)281-71-34-48-155(281)204(334)271-145)97-348-357-356-346-91-121(219)173(303)276-165(105(7)8)207(337)251-125(45-31-68-235-216(228)229)179(309)255-133(76-104(5)6)186(316)260-139(82-118-86-232-101-239-118)192(322)250-129(60-63-163(296)297)181(311)264-144(90-284)194(324)269-149)99-354-364-360-350-93-146(196(326)247-123(43-29-66-233-214(224)225)176(306)245-122(177(307)253-131)42-27-28-65-218)266-190(320)137(80-116-50-54-119(288)55-51-116)258-199(329)148-95-351-361-359-349-94-147(267-191(321)138(259-200(153)330)81-117-52-56-120(289)57-53-117)197(327)248-124(44-30-67-234-215(226)227)178(308)256-135(78-114-38-23-19-24-39-114)187(317)257-136(79-115-40-25-20-26-41-115)188(318)261-140(83-159(222)292)185(315)240-107(11)171(301)252-134(189(319)268-148)77-113-36-21-18-22-37-113/h18-26,36-41,50-57,86,101-112,121-156,165-169,283-289H,27-35,42-49,58-85,87-100,218-219H2,1-17H3,(H2,220,290)(H2,221,291)(H2,222,292)(H2,223,293)(H,232,239)(H,237,305)(H,238,304)(H,240,315)(H,241,325)(H,242,338)(H,243,294)(H,244,300)(H,245,306)(H,246,323)(H,247,326)(H,248,327)(H,249,310)(H,250,322)(H,251,337)(H,252,301)(H,253,307)(H,254,328)(H,255,309)(H,256,308)(H,257,317)(H,258,329)(H,259,330)(H,260,316)(H,261,318)(H,262,312)(H,263,331)(H,264,311)(H,265,332)(H,266,320)(H,267,321)(H,268,319)(H,269,324)(H,270,333)(H,271,334)(H,272,335)(H,273,336)(H,274,339)(H,275,295)(H,276,303)(H,277,314)(H,278,302)(H,279,313)(H,296,297)(H,298,299)(H,343,344)(H4,224,225,233)(H4,226,227,234)(H4,228,229,235)(H4,230,231,236)/t107-,108-,109-,110+,111+,112+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,165-,166-,167-,168-,169-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.48 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50514457
(CHEMBL4565367)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C |r| Show InChI InChI=1S/C51H68N12O8/c1-31(2)42-48(69)59-38(29-34-19-10-5-11-20-34)49(70)63-26-14-23-41(63)50(71)62-25-13-22-40(62)47(68)56-35(21-12-24-55-51(53)54)43(64)57-36(27-32-15-6-3-7-16-32)44(65)58-37(28-33-17-8-4-9-18-33)45(66)60-39(30-52)46(67)61-42/h3-11,15-20,31,35-42H,12-14,21-30,52H2,1-2H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,55)/t35-,36-,37-,38-,39-,40-,41+,42-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me... |
J Med Chem 63: 2194-2208 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00860
BindingDB Entry DOI: 10.7270/Q25142KG |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50164804
(CHEMBL3798421)Show SMILES CC(=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)NCCCOCCOCCOCCCNC(=O)COCC(=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(N)=O |r| Show InChI InChI=1S/C80H107N23O15/c1-50(104)96-67(40-55-44-86-48-94-55)77(113)101-64(36-51-16-4-2-5-17-51)75(111)99-62(25-13-27-91-80(84)85)74(110)103-66(39-54-43-93-60-23-11-9-21-58(54)60)72(108)89-29-15-31-116-33-35-117-34-32-115-30-14-28-88-69(105)46-118-47-70(106)97-68(41-56-45-87-49-95-56)78(114)102-65(37-52-18-6-3-7-19-52)76(112)98-61(24-12-26-90-79(82)83)73(109)100-63(71(81)107)38-53-42-92-59-22-10-8-20-57(53)59/h2-11,16-23,42-45,48-49,61-68,92-93H,12-15,24-41,46-47H2,1H3,(H2,81,107)(H,86,94)(H,87,95)(H,88,105)(H,89,108)(H,96,104)(H,97,106)(H,98,112)(H,99,111)(H,100,109)(H,101,113)(H,102,114)(H,103,110)(H4,82,83,90)(H4,84,85,91)/t61-,62-,63-,64+,65+,66-,67-,68-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50164800
(CHEMBL3798768)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C88H111N23O15/c1-54(112)104-75(44-63-48-94-52-102-63)85(121)109-72(40-55-24-26-57-14-2-4-16-59(57)38-55)83(119)107-70(23-11-29-99-88(92)93)82(118)111-74(43-62-47-101-68-21-9-7-19-66(62)68)80(116)97-31-13-33-124-35-37-125-36-34-123-32-12-30-96-77(113)50-126-51-78(114)105-76(45-64-49-95-53-103-64)86(122)110-73(41-56-25-27-58-15-3-5-17-60(58)39-56)84(120)106-69(22-10-28-98-87(90)91)81(117)108-71(79(89)115)42-61-46-100-67-20-8-6-18-65(61)67/h2-9,14-21,24-27,38-39,46-49,52-53,69-76,100-101H,10-13,22-23,28-37,40-45,50-51H2,1H3,(H2,89,115)(H,94,102)(H,95,103)(H,96,113)(H,97,116)(H,104,112)(H,105,114)(H,106,120)(H,107,119)(H,108,117)(H,109,121)(H,110,122)(H,111,118)(H4,90,91,98)(H4,92,93,99)/t69-,70-,71-,72+,73+,74-,75-,76-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50155865
(CHEMBL2373991 | CUDPUATUYCRFFNAFCYCRKL)Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)[C@@]1([H])[#6]-[#16]-[#16]-[#6][C@]([H])([#7]-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6]2=O)[#6@@H](-[#6])-[#8])[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C116H166N30O29S4/c1-9-72-96(156)126-62(7)94(154)145-92(63(8)147)112(172)130-74(11-3)97(157)135-81(52-67-36-40-69(148)41-37-67)106(166)143-87-58-178-179-59-88(144-105(165)78(49-64-26-15-12-16-27-64)134-93(153)61(6)127-102(162)83(54-90(119)150)139-104(164)80(51-66-30-19-14-20-31-66)137-103(163)79(50-65-28-17-13-18-29-65)136-100(160)77(133-109(87)169)34-24-46-125-116(122)123)110(170)138-82(53-68-38-42-70(149)43-39-68)107(167)142-86(108(168)132-76(33-23-45-124-115(120)121)99(159)131-75(32-21-22-44-117)101(161)141-85(114(174)175)48-60(4)5)57-177-176-56-71(118)95(155)128-73(10-2)98(158)140-84(55-91(151)152)113(173)146-47-25-35-89(146)111(171)129-72/h12-20,26-31,36-43,60-63,71-89,92,147-149H,9-11,21-25,32-35,44-59,117-118H2,1-8H3,(H2,119,150)(H,126,156)(H,127,162)(H,128,155)(H,129,171)(H,130,172)(H,131,159)(H,132,168)(H,133,169)(H,134,153)(H,135,157)(H,136,160)(H,137,163)(H,138,170)(H,139,164)(H,140,158)(H,141,161)(H,142,167)(H,143,166)(H,144,165)(H,145,154)(H,151,152)(H,174,175)(H4,120,121,124)(H4,122,123,125)/t61-,62-,63-,71?,72?,73?,74?,75+,76+,77?,78+,79+,80-,81-,82+,83?,84?,85+,86+,87+,88-,89+,92+/m1/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 4 Receptor |
J Med Chem 47: 5662-73 (2004)
Article DOI: 10.1021/jm049620r
BindingDB Entry DOI: 10.7270/Q21N80MK |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50164802
(CHEMBL3799408)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O |r| Show InChI InChI=1S/C52H71N13O11/c1-34(66)62-45(28-39-30-56-33-61-39)51(72)64-43(26-35-14-15-36-9-2-3-10-37(36)25-35)50(71)63-42(13-6-16-59-52(54)55)49(70)65-44(27-38-29-60-41-12-5-4-11-40(38)41)48(69)58-18-8-20-74-22-24-75-23-21-73-19-7-17-57-47(68)32-76-31-46(53)67/h2-5,9-12,14-15,25,29-30,33,42-45,60H,6-8,13,16-24,26-28,31-32H2,1H3,(H2,53,67)(H,56,61)(H,57,68)(H,58,69)(H,62,66)(H,63,71)(H,64,72)(H,65,70)(H4,54,55,59)/t42-,43+,44-,45-/m0/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50266704
(CHEMBL4083717)Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50164801
(CHEMBL3798912)Show SMILES NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C50H69N13O10/c51-15-6-18-70-20-22-72-23-21-71-19-7-17-56-44(64)30-73-31-45(65)60-43(27-37-29-55-32-59-37)49(69)63-42(25-33-13-14-34-8-1-2-9-35(34)24-33)48(68)61-40(12-5-16-57-50(53)54)47(67)62-41(46(52)66)26-36-28-58-39-11-4-3-10-38(36)39/h1-4,8-11,13-14,24,28-29,32,40-43,58H,5-7,12,15-23,25-27,30-31,51H2,(H2,52,66)(H,55,59)(H,56,64)(H,60,65)(H,61,68)(H,62,67)(H,63,69)(H4,53,54,57)/t40-,41-,42+,43-/m0/s1 | PDB
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UniChem
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50115362
(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C38H45N11O5/c1-22(50)46-33(18-27-20-42-21-45-27)37(54)49-32(16-23-12-13-24-7-2-3-8-25(24)15-23)36(53)47-30(11-6-14-43-38(40)41)35(52)48-31(34(39)51)17-26-19-44-29-10-5-4-9-28(26)29/h2-5,7-10,12-13,15,19-21,30-33,44H,6,11,14,16-18H2,1H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t30-,31-,32+,33-/m0/s1 | PDB
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PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144871
(CHEMBL428134)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1 | PDB
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PubMed
| n/a | n/a | 29.8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50164797
(CHEMBL3797808)Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C108H141N33O21/c1-62(142)128-78(48-67-52-114-60-126-67)98(154)133-76(44-63-20-4-2-5-21-63)96(152)131-74(29-13-37-117-108(112)113)95(151)135-80(47-66-51-119-72-27-11-9-25-70(66)72)106(162)141-43-19-35-86(141)105(161)125-59-92(148)140-42-18-34-85(140)104(160)124-58-91(147)139-41-17-33-84(139)103(159)123-57-90(146)138-40-16-32-83(138)102(158)122-56-89(145)137-39-15-31-82(137)101(157)121-55-88(144)136-38-14-30-81(136)100(156)120-54-87(143)129-79(49-68-53-115-61-127-68)99(155)134-77(45-64-22-6-3-7-23-64)97(153)130-73(28-12-36-116-107(110)111)94(150)132-75(93(109)149)46-65-50-118-71-26-10-8-24-69(65)71/h2-11,20-27,50-53,60-61,73-86,118-119H,12-19,28-49,54-59H2,1H3,(H2,109,149)(H,114,126)(H,115,127)(H,120,156)(H,121,157)(H,122,158)(H,123,159)(H,124,160)(H,125,161)(H,128,142)(H,129,143)(H,130,153)(H,131,152)(H,132,150)(H,133,154)(H,134,155)(H,135,151)(H4,110,111,116)(H4,112,113,117)/t73-,74-,75-,76+,77+,78-,79?,80-,81-,82-,83-,84-,85-,86-/m0/s1 | PDB
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UniChem
Similars
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PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50514454
(CHEMBL4538274)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C |r| Show InChI InChI=1S/C52H68N12O9/c1-31(2)43-49(71)61-39(29-34-19-10-5-11-20-34)50(72)64-26-14-23-41(64)51(73)63-25-13-22-40(63)48(70)57-35(21-12-24-56-52(54)55)44(66)58-36(27-32-15-6-3-7-16-32)45(67)59-37(28-33-17-8-4-9-18-33)46(68)60-38(30-42(53)65)47(69)62-43/h3-11,15-20,31,35-41,43H,12-14,21-30H2,1-2H3,(H2,53,65)(H,57,70)(H,58,66)(H,59,67)(H,60,68)(H,61,71)(H,62,69)(H4,54,55,56)/t35-,36-,37-,38-,39-,40-,41+,43-/m0/s1 | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me... |
J Med Chem 63: 2194-2208 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00860
BindingDB Entry DOI: 10.7270/Q25142KG |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50266726
(CHEMBL4078495)Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C40H45IN8O5/c1-24(50)46-33(21-26-12-15-27-7-2-3-8-28(27)19-26)38(53)47-32(11-6-18-45-40(43)44)37(52)48-34(20-25-13-16-31(41)17-14-25)39(54)49-23-30-10-5-4-9-29(30)22-35(49)36(42)51/h2-5,7-10,12-17,19,32-35H,6,11,18,20-23H2,1H3,(H2,42,51)(H,46,50)(H,47,53)(H,48,52)(H4,43,44,45)/t32-,33+,34+,35-/m0/s1 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50164803
(CHEMBL3799955)Show SMILES CC(=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)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=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(N)=O |r| Show InChI InChI=1S/C94H133N25O21/c1-62(120)112-79(50-67-54-100-60-110-67)91(131)117-76(46-63-18-4-2-5-19-63)89(129)115-74(27-13-29-107-94(98)99)88(128)119-78(49-66-53-109-72-25-11-9-23-70(66)72)86(126)105-33-17-37-136-41-45-138-44-40-134-35-15-31-103-82(122)57-139-56-81(121)102-30-14-34-133-38-42-137-43-39-135-36-16-32-104-83(123)58-140-59-84(124)113-80(51-68-55-101-61-111-68)92(132)118-77(47-64-20-6-3-7-21-64)90(130)114-73(26-12-28-106-93(96)97)87(127)116-75(85(95)125)48-65-52-108-71-24-10-8-22-69(65)71/h2-11,18-25,52-55,60-61,73-80,108-109H,12-17,26-51,56-59H2,1H3,(H2,95,125)(H,100,110)(H,101,111)(H,102,121)(H,103,122)(H,104,123)(H,105,126)(H,112,120)(H,113,124)(H,114,130)(H,115,129)(H,116,127)(H,117,131)(H,118,132)(H,119,128)(H4,96,97,106)(H4,98,99,107)/t73-,74-,75-,76+,77+,78-,79-,80-/m0/s1 | PDB
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| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50089398
(CHEMBL3577981)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C50H64N12O9/c1-30-42(64)60-38(28-33-18-9-4-10-19-33)48(70)62-25-13-22-40(62)49(71)61-24-12-21-39(61)47(69)56-34(20-11-23-54-50(52)53)43(65)57-35(26-31-14-5-2-6-15-31)45(67)58-36(27-32-16-7-3-8-17-32)46(68)59-37(29-41(51)63)44(66)55-30/h2-10,14-19,30,34-40H,11-13,20-29H2,1H3,(H2,51,63)(H,55,66)(H,56,69)(H,57,65)(H,58,67)(H,59,68)(H,60,64)(H4,52,53,54)/t30-,34-,35-,36-,37-,38-,39-,40+/m0/s1 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me... |
J Med Chem 63: 2194-2208 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00860
BindingDB Entry DOI: 10.7270/Q25142KG |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50164799
(CHEMBL3797690)Show SMILES CC(=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)NCCCOCCOCCOCCCNC(=O)COCC(N)=O |r| Show InChI InChI=1S/C48H69N13O11/c1-32(62)58-41(26-35-28-52-31-57-35)47(68)60-39(24-33-10-3-2-4-11-33)46(67)59-38(14-7-15-55-48(50)51)45(66)61-40(25-34-27-56-37-13-6-5-12-36(34)37)44(65)54-17-9-19-70-21-23-71-22-20-69-18-8-16-53-43(64)30-72-29-42(49)63/h2-6,10-13,27-28,31,38-41,56H,7-9,14-26,29-30H2,1H3,(H2,49,63)(H,52,57)(H,53,64)(H,54,65)(H,58,62)(H,59,67)(H,60,68)(H,61,66)(H4,50,51,55)/t38-,39+,40-,41-/m0/s1 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50266696
(CHEMBL4063911)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H41IN10O5/c1-19(45)41-26(15-24-16-38-18-40-24)31(48)42-25(7-4-12-39-33(36)37)30(47)43-27(13-20-8-10-23(34)11-9-20)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H4,36,37,39)/t25-,26-,27+,28-/m0/s1 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50266739
(CHEMBL4071063)Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H46IN11O5S/c1-19(47)43-24(7-4-14-41-33(37)38)30(49)44-25(8-5-15-42-34(39)40)31(50)46-27(16-20-10-12-22(35)13-11-20)32(51)45-26(29(36)48)17-21-18-52-28-9-3-2-6-23(21)28/h2-3,6,9-13,18,24-27H,4-5,7-8,14-17H2,1H3,(H2,36,48)(H,43,47)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,27+/m0/s1 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50034922
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)| Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1 | PDB
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| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50514459
(CHEMBL4566163)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C49H64N12O9/c1-29-41(63)58-37(27-31-13-6-3-7-14-31)47(69)61-24-10-17-40(61)48(70)60-23-9-16-39(60)46(68)55-34(15-8-22-53-49(51)52)42(64)56-36(26-32-18-20-33(62)21-19-32)43(65)57-35(25-30-11-4-2-5-12-30)44(66)59-38(28-50)45(67)54-29/h2-7,11-14,18-21,29,34-40,62H,8-10,15-17,22-28,50H2,1H3,(H,54,67)(H,55,68)(H,56,64)(H,57,65)(H,58,63)(H,59,66)(H4,51,52,53)/t29-,34-,35-,36-,37-,38-,39-,40+/m0/s1 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me... |
J Med Chem 63: 2194-2208 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00860
BindingDB Entry DOI: 10.7270/Q25142KG |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50266706
(CHEMBL4079298)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C36H43IN8O5/c1-22(46)42-29(18-23-8-3-2-4-9-23)34(49)43-28(12-7-17-41-36(39)40)33(48)44-30(19-24-13-15-27(37)16-14-24)35(50)45-21-26-11-6-5-10-25(26)20-31(45)32(38)47/h2-6,8-11,13-16,28-31H,7,12,17-21H2,1H3,(H2,38,47)(H,42,46)(H,43,49)(H,44,48)(H4,39,40,41)/t28-,29-,30+,31-/m0/s1 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50034922
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)| Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1 | PDB
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| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50266722
(CHEMBL4072129)Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r| Show InChI InChI=1S/C36H48IN11O5/c1-21(49)45-27(8-4-16-43-35(39)40)32(51)46-28(9-5-17-44-36(41)42)33(52)48-30(19-22-11-14-26(37)15-12-22)34(53)47-29(31(38)50)20-23-10-13-24-6-2-3-7-25(24)18-23/h2-3,6-7,10-15,18,27-30H,4-5,8-9,16-17,19-20H2,1H3,(H2,38,50)(H,45,49)(H,46,51)(H,47,53)(H,48,52)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30+/m0/s1 | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50164798
(CHEMBL3799094)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C74H101N23O16/c75-64(104)50(32-44-34-81-47-16-5-4-15-46(44)47)91-66(106)49(18-7-25-80-74(76)77)90-67(107)51(31-43-13-2-1-3-14-43)92-68(108)52(33-45-35-78-42-88-45)89-58(98)36-82-69(109)53-19-8-26-93(53)60(100)38-84-71(111)55-21-10-28-95(55)62(102)40-86-73(113)57-23-12-30-97(57)63(103)41-87-72(112)56-22-11-29-96(56)61(101)39-85-70(110)54-20-9-27-94(54)59(99)37-83-65(105)48-17-6-24-79-48/h1-5,13-16,34-35,42,48-57,79,81H,6-12,17-33,36-41H2,(H2,75,104)(H,78,88)(H,82,109)(H,83,105)(H,84,111)(H,85,110)(H,86,113)(H,87,112)(H,89,98)(H,90,107)(H,91,106)(H,92,108)(H4,76,77,80)/t48-,49-,50-,51+,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50266740
(CHEMBL4091894)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H41IN10O5S/c1-19(46)42-28(15-23-16-39-18-41-23)33(50)43-25(6-4-12-40-34(37)38)31(48)45-27(13-20-8-10-22(35)11-9-20)32(49)44-26(30(36)47)14-21-17-51-29-7-3-2-5-24(21)29/h2-3,5,7-11,16-18,25-28H,4,6,12-15H2,1H3,(H2,36,47)(H,39,41)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,37,38,40)/t25-,26-,27+,28-/m0/s1 | PDB
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| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50410195
(CHEMBL2096710)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C64H79N15O13S2/c1-36-55(84)74-47(30-37-12-5-2-6-13-37)61(90)79-52(63(92)73-46(54(67)83)29-41-21-25-43(81)26-22-41)35-94-93-34-51(78-56(85)44(65)28-40-19-23-42(80)24-20-40)62(91)72-45(18-11-27-70-64(68)69)57(86)75-48(31-38-14-7-3-8-15-38)59(88)76-49(32-39-16-9-4-10-17-39)60(89)77-50(33-53(66)82)58(87)71-36/h2-10,12-17,19-26,36,44-52,80-81H,11,18,27-35,65H2,1H3,(H2,66,82)(H2,67,83)(H,71,87)(H,72,91)(H,73,92)(H,74,84)(H,75,86)(H,76,88)(H,77,89)(H,78,85)(H,79,90)(H4,68,69,70)/t36-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
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| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 4 Receptor |
J Med Chem 47: 5662-73 (2004)
Article DOI: 10.1021/jm049620r
BindingDB Entry DOI: 10.7270/Q21N80MK |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144880
(CHEMBL406032 | Tyr-c[Asp-His-Phe-Arg-Trp-Asn-Ala-P...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51-,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50164806
(CHEMBL3799563)Show SMILES NCCCOCCOCCOCCCNC(=O)COCC(=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(N)=O |r| Show InChI InChI=1S/C46H67N13O10/c47-14-7-17-66-19-21-68-22-20-67-18-8-16-52-40(60)28-69-29-41(61)56-39(25-33-27-51-30-55-33)45(65)59-38(23-31-9-2-1-3-10-31)44(64)57-36(13-6-15-53-46(49)50)43(63)58-37(42(48)62)24-32-26-54-35-12-5-4-11-34(32)35/h1-5,9-12,26-27,30,36-39,54H,6-8,13-25,28-29,47H2,(H2,48,62)(H,51,55)(H,52,60)(H,56,61)(H,57,64)(H,58,63)(H,59,65)(H4,49,50,53)/t36-,37-,38+,39-/m0/s1 | PDB
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| n/a | n/a | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50266708
(CHEMBL4102774)Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H46IN11O5/c1-19(45)41-23(9-5-15-39-31(35)36)28(47)42-24(10-6-16-40-32(37)38)29(48)44-26(18-21-11-13-22(33)14-12-21)30(49)43-25(27(34)46)17-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-26H,5-6,9-10,15-18H2,1H3,(H2,34,46)(H,41,45)(H,42,47)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t23-,24-,25-,26+/m0/s1 | PDB
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| n/a | n/a | 455 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144880
(CHEMBL406032 | Tyr-c[Asp-His-Phe-Arg-Trp-Asn-Ala-P...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51-,52+,53-,54+,55+,56-,57+,61?/m0/s1 | PDB
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PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50164805
(CHEMBL3798845)Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(N)=O Show InChI InChI=1S/C76H103N23O17/c1-44(100)90-52(34-47-36-80-43-89-47)68(109)92-51(32-45-14-3-2-4-15-45)67(108)91-50(18-7-25-81-76(78)79)66(107)93-53(33-46-35-82-49-17-6-5-16-48(46)49)75(116)99-31-13-24-59(99)74(115)88-42-65(106)98-30-12-23-58(98)73(114)87-41-64(105)97-29-11-22-57(97)72(113)86-40-63(104)96-28-10-21-56(96)71(112)85-39-62(103)95-27-9-20-55(95)70(111)84-38-61(102)94-26-8-19-54(94)69(110)83-37-60(77)101/h2-6,14-17,35-36,43,50-59,82H,7-13,18-34,37-42H2,1H3,(H2,77,101)(H,80,89)(H,83,110)(H,84,111)(H,85,112)(H,86,113)(H,87,114)(H,88,115)(H,90,100)(H,91,108)(H,92,109)(H,93,107)(H4,78,79,81)/t50-,51+,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 841 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50266731
(CHEMBL4092424)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C37H43IN8O5S/c1-22(47)43-30(18-23-8-3-2-4-9-23)35(50)44-28(11-7-17-42-37(40)41)34(49)46-31(19-24-13-15-26(38)16-14-24)36(51)45-29(33(39)48)20-25-21-52-32-12-6-5-10-27(25)32/h2-6,8-10,12-16,21,28-31H,7,11,17-20H2,1H3,(H2,39,48)(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,40,41,42)/t28-,29-,30-,31+/m0/s1 | PDB
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| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting |
J Med Chem 60: 4342-4357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50514455
(CHEMBL4531291)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC2=O |r| Show InChI InChI=1S/C49H59N11O8/c1-30-42(61)57-38(25-33-17-9-4-10-18-33)48(67)60-22-12-20-41(60)49(68)59-21-11-19-40(59)47(66)56-37(26-34-28-51-29-52-34)45(64)55-35(23-31-13-5-2-6-14-31)43(62)54-36(24-32-15-7-3-8-16-32)44(63)58-39(27-50)46(65)53-30/h2-10,13-18,28-30,35-41H,11-12,19-27,50H2,1H3,(H,51,52)(H,53,65)(H,54,62)(H,55,64)(H,56,66)(H,57,61)(H,58,63)/t30-,35-,36-,37-,38-,39-,40-,41+/m0/s1 | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me... |
J Med Chem 63: 2194-2208 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00860
BindingDB Entry DOI: 10.7270/Q25142KG |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50514458
(CHEMBL4474215)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC2=O |r| Show InChI InChI=1S/C47H57N9O9S/c1-28-40(58)53-35(25-31-17-9-4-10-18-31)46(64)56-22-12-20-38(56)47(65)55-21-11-19-37(55)45(63)54-36(27-66)44(62)51-33(24-30-15-7-3-8-16-30)42(60)50-32(23-29-13-5-2-6-14-29)43(61)52-34(26-39(48)57)41(59)49-28/h2-10,13-18,28,32-38,66H,11-12,19-27H2,1H3,(H2,48,57)(H,49,59)(H,50,60)(H,51,62)(H,52,61)(H,53,58)(H,54,63)/t28-,32-,33-,34-,35-,36-,37-,38+/m0/s1 | PDB
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UniProtKB/SwissProt
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| PC cid
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| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me... |
J Med Chem 63: 2194-2208 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00860
BindingDB Entry DOI: 10.7270/Q25142KG |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50514452
(CHEMBL4466724)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C50H64N12O10/c1-29-42(65)60-38(27-31-13-6-3-7-14-31)48(71)62-24-10-17-40(62)49(72)61-23-9-16-39(61)47(70)56-34(15-8-22-54-50(52)53)43(66)57-36(26-32-18-20-33(63)21-19-32)45(68)58-35(25-30-11-4-2-5-12-30)46(69)59-37(28-41(51)64)44(67)55-29/h2-7,11-14,18-21,29,34-40,63H,8-10,15-17,22-28H2,1H3,(H2,51,64)(H,55,67)(H,56,70)(H,57,66)(H,58,68)(H,59,69)(H,60,65)(H4,52,53,54)/t29-,34-,35-,36-,37-,38-,39-,40+/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me... |
J Med Chem 63: 2194-2208 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00860
BindingDB Entry DOI: 10.7270/Q25142KG |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50169442
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4| Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1 | PDB
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PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition concentration (binding affinity) against mouse melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex... |
Bioorg Med Chem Lett 15: 3501-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144879
(CHEMBL406550 | Tyr-c[Asp-DPhe-Arg-Trp-Asn-Ala-Phe-...)Show SMILES C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)NC(NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NN Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)78-48(29-37-13-6-3-7-14-37)61(96)76-45(17-10-26-73-68(70)71)59(94)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,96)(H,77,93)(H,78,98)(H,79,94)(H,80,97)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47-,48+,49-,50+,51-,52-,57?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144878
(CHEMBL402258 | Tyr-c[Asp-Arg-Phe-Phe-Asn-Ala-Phe-D...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C66H79N17O16/c1-35-57(91)75-45(29-36-12-5-2-6-13-36)54(89)64(98)81-56(65(99)83-82-46(53(88)55(69)90)30-40-21-25-42(85)26-22-40)80-52(87)34-50(76-58(92)43(67)28-39-19-23-41(84)24-20-39)63(97)74-44(18-11-27-72-66(70)71)59(93)77-47(31-37-14-7-3-8-15-37)61(95)78-48(32-38-16-9-4-10-17-38)62(96)79-49(33-51(68)86)60(94)73-35/h2-10,12-17,19-26,35,43-50,56,82,84-85H,11,18,27-34,67H2,1H3,(H2,68,86)(H2,69,90)(H,73,94)(H,74,97)(H,75,91)(H,76,92)(H,77,93)(H,78,95)(H,79,96)(H,80,87)(H,81,98)(H,83,99)(H4,70,71,72)/t35-,43-,44-,45+,46+,47+,48-,49+,50-,56?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144874
(CHEMBL440633 | Tyr-c[Asp-Phe-Arg-Trp-Asn-Ala-Phe-D...)Show SMILES C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)NC(NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)78-48(29-37-13-6-3-7-14-37)61(96)76-45(17-10-26-73-68(70)71)59(94)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,96)(H,77,93)(H,78,98)(H,79,94)(H,80,97)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47-,48-,49-,50+,51-,52+,57?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132) |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144878
(CHEMBL402258 | Tyr-c[Asp-Arg-Phe-Phe-Asn-Ala-Phe-D...)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C66H79N17O16/c1-35-57(91)75-45(29-36-12-5-2-6-13-36)54(89)64(98)81-56(65(99)83-82-46(53(88)55(69)90)30-40-21-25-42(85)26-22-40)80-52(87)34-50(76-58(92)43(67)28-39-19-23-41(84)24-20-39)63(97)74-44(18-11-27-72-66(70)71)59(93)77-47(31-37-14-7-3-8-15-37)61(95)78-48(32-38-16-9-4-10-17-38)62(96)79-49(33-51(68)86)60(94)73-35/h2-10,12-17,19-26,35,43-50,56,82,84-85H,11,18,27-34,67H2,1H3,(H2,68,86)(H2,69,90)(H,73,94)(H,74,97)(H,75,91)(H,76,92)(H,77,93)(H,78,95)(H,79,96)(H,80,87)(H,81,98)(H,83,99)(H4,70,71,72)/t35-,43-,44-,45+,46+,47+,48-,49+,50-,56?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
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