Found 32 hits with Last Name = 'dirain' and Initial = 'mls' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263381
(CHEMBL4097903)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2[C@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H256N48O50S6/c1-13-83(7)131-163(262)193-103(48-50-122(173)224)140(239)183-70-127(229)209-133(87(11)219)165(264)208-118-77-268-266-74-116-156(255)195-105(58-81(3)4)146(245)196-108(62-92-40-46-96(223)47-41-92)149(248)202-113(72-217)153(252)186-86(10)137(236)214-161(260)121(215-57-27-35-120(215)160(259)212-132(84(8)14-2)164(263)200-109(59-89-28-16-15-17-29-89)152(251)213-134(88(12)220)166(265)192-102(145(244)211-131)33-21-25-55-171)79-271-270-76-115(155(254)189-98(135(175)234)30-18-22-52-168)207-158(257)117(204-143(242)101(32-20-24-54-170)190-136(235)85(9)185-142(241)100(31-19-23-53-169)187-126(228)69-182-139(238)99(34-26-56-179-167(176)177)191-147(246)106(198-157(118)256)60-90-36-42-94(221)43-37-90)75-267-269-78-119(159(258)210-130(82(5)6)162(261)203-114(73-218)154(253)201-112(71-216)141(240)181-67-124(226)180-68-125(227)188-104(144(243)205-116)49-51-128(230)231)206-151(250)111(65-123(174)225)199-148(247)107(61-91-38-44-95(222)45-39-91)197-150(249)110(63-93-66-178-80-184-93)194-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,216-223H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,224)(H2,174,225)(H2,175,234)(H,178,184)(H,180,226)(H,181,240)(H,182,238)(H,183,239)(H,185,241)(H,186,252)(H,187,228)(H,188,227)(H,189,254)(H,190,235)(H,191,246)(H,192,265)(H,193,262)(H,194,237)(H,195,255)(H,196,245)(H,197,249)(H,198,256)(H,199,247)(H,200,263)(H,201,253)(H,202,248)(H,203,261)(H,204,242)(H,205,243)(H,206,250)(H,207,257)(H,208,264)(H,209,229)(H,210,258)(H,211,244)(H,212,259)(H,213,251)(H,230,231)(H,232,233)(H4,176,177,179)(H,214,236,260)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-MSH from human MC1R expressed in HEK293T cells after 2 hrs by DELFIA method |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263381
(CHEMBL4097903)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2[C@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H256N48O50S6/c1-13-83(7)131-163(262)193-103(48-50-122(173)224)140(239)183-70-127(229)209-133(87(11)219)165(264)208-118-77-268-266-74-116-156(255)195-105(58-81(3)4)146(245)196-108(62-92-40-46-96(223)47-41-92)149(248)202-113(72-217)153(252)186-86(10)137(236)214-161(260)121(215-57-27-35-120(215)160(259)212-132(84(8)14-2)164(263)200-109(59-89-28-16-15-17-29-89)152(251)213-134(88(12)220)166(265)192-102(145(244)211-131)33-21-25-55-171)79-271-270-76-115(155(254)189-98(135(175)234)30-18-22-52-168)207-158(257)117(204-143(242)101(32-20-24-54-170)190-136(235)85(9)185-142(241)100(31-19-23-53-169)187-126(228)69-182-139(238)99(34-26-56-179-167(176)177)191-147(246)106(198-157(118)256)60-90-36-42-94(221)43-37-90)75-267-269-78-119(159(258)210-130(82(5)6)162(261)203-114(73-218)154(253)201-112(71-216)141(240)181-67-124(226)180-68-125(227)188-104(144(243)205-116)49-51-128(230)231)206-151(250)111(65-123(174)225)199-148(247)107(61-91-38-44-95(222)45-39-91)197-150(249)110(63-93-66-178-80-184-93)194-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,216-223H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,224)(H2,174,225)(H2,175,234)(H,178,184)(H,180,226)(H,181,240)(H,182,238)(H,183,239)(H,185,241)(H,186,252)(H,187,228)(H,188,227)(H,189,254)(H,190,235)(H,191,246)(H,192,265)(H,193,262)(H,194,237)(H,195,255)(H,196,245)(H,197,249)(H,198,256)(H,199,247)(H,200,263)(H,201,253)(H,202,248)(H,203,261)(H,204,242)(H,205,243)(H,206,250)(H,207,257)(H,208,264)(H,209,229)(H,210,258)(H,211,244)(H,212,259)(H,213,251)(H,230,231)(H,232,233)(H4,176,177,179)(H,214,236,260)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-MSH from human MC1R expressed in HEK293 cells |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50263383
(CHEMBL4079142)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H263N49O49S6/c1-13-83(7)131(162(261)194-103(48-50-122(173)225)140(239)184-70-128(231)211-133(87(11)220)164(263)209-118(77-269)157(256)199-106(60-90-36-42-94(222)43-37-90)147(246)192-99(34-26-56-180-167(177)178)139(238)183-69-127(230)188-100(31-19-23-53-169)142(241)186-85(9)136(235)191-101(32-20-24-54-170)143(242)205-117(76-268)158(257)208-115(74-266)155(254)190-98(135(176)234)30-18-22-52-168)213-145(244)102(33-21-25-55-171)193-165(264)134(88(12)221)215-152(251)109(59-89-28-16-15-17-29-89)201-163(262)132(84(8)14-2)214-160(259)121-35-27-57-216(121)166(265)120(79-271)210-137(236)86(10)187-153(252)113(72-218)203-149(248)108(62-92-40-46-96(224)47-41-92)197-146(245)105(58-81(3)4)196-156(255)116(75-267)206-144(243)104(49-51-123(174)226)189-126(229)68-181-125(228)67-182-141(240)112(71-217)202-154(253)114(73-219)204-161(260)130(82(5)6)212-159(258)119(78-270)207-151(250)111(65-124(175)227)200-148(247)107(61-91-38-44-95(223)45-39-91)198-150(249)110(63-93-66-179-80-185-93)195-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,217-224,266-271H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,234)(H,179,185)(H,181,228)(H,182,240)(H,183,238)(H,184,239)(H,186,241)(H,187,252)(H,188,230)(H,189,229)(H,190,254)(H,191,235)(H,192,246)(H,193,264)(H,194,261)(H,195,237)(H,196,255)(H,197,245)(H,198,249)(H,199,256)(H,200,247)(H,201,262)(H,202,253)(H,203,248)(H,204,260)(H,205,242)(H,206,243)(H,207,250)(H,208,257)(H,209,263)(H,210,236)(H,211,231)(H,212,258)(H,213,244)(H,214,259)(H,215,251)(H,232,233)(H4,177,178,180)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50263393
(CHEMBL4072638)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C165H268N52O51S6/c1-80(2)56-99(142(246)191-94(41-44-120(172)224)134(238)184-69-127(231)213-130(83(7)221)160(264)211-115(77-273)153(257)195-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)147(251)194-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)146(250)209-114(76-272)156(260)210-111(73-269)152(256)187-90(132(177)236)28-12-17-47-166)196-136(240)92(30-14-19-49-168)193-161(265)131(84(8)222)214-148(252)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(268)116(78-274)212-151(255)109(71-219)205-150(254)108(70-218)204-137(241)93(33-22-52-181-165(178)179)190-141(245)100(57-81(3)4)197-155(259)113(75-271)208-144(248)102(59-85-26-10-9-11-27-85)186-126(230)68-182-125(229)67-183-135(239)104(61-87-66-180-79-185-87)200-140(244)96(43-46-122(174)226)192-143(247)101(58-82(5)6)198-154(258)112(74-270)207-138(242)91(29-13-18-48-167)189-145(249)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)188-133(237)89(171)62-128(232)233/h9-11,26-27,37-40,66,79-84,89-119,130-131,218-223,269-274H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,186,230)(H,187,256)(H,188,237)(H,189,249)(H,190,245)(H,191,246)(H,192,247)(H,193,265)(H,194,251)(H,195,257)(H,196,240)(H,197,259)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,248)(H,209,250)(H,210,260)(H,211,264)(H,212,255)(H,213,231)(H,214,252)(H,232,233)(H,234,235)(H4,178,179,181)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,130+,131+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50263382
(CHEMBL4065418)Show SMILES CC(C)C[C@@H]1N[C@H]2CSSC[C@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC2=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C165H262N52O51S6/c1-80(2)56-99-141(245)191-93(33-22-52-181-165(178)179)137(241)204-108(70-218)150(254)205-109(71-219)151(255)211-116-78-274-273-74-112(152(256)188-90(132(177)236)28-12-17-47-166)209-155(259)114-76-271-270-75-113(207-138(242)91(29-13-18-48-167)190-144(248)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)189-133(237)89(171)62-128(232)233)154(258)198-101(58-82(5)6)143(247)193-96(43-46-122(174)226)140(244)200-104(61-87-66-180-79-185-87)135(239)183-67-125(229)182-68-126(230)187-102(59-85-26-10-9-11-27-85)148(252)214-156(260)111(186-99)73-269-272-77-115(153(257)196-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)146(250)195-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)145(249)208-114)210-160(264)130(83(7)221)212-127(231)69-184-134(238)94(41-44-120(172)224)192-142(246)100(57-81(3)4)197-136(240)92(30-14-19-49-168)194-161(265)131(84(8)222)213-147(251)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(116)268/h9-11,26-27,37-40,66,79-84,89-119,130-131,186,218-223H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,187,230)(H,188,256)(H,189,237)(H,190,248)(H,191,245)(H,192,246)(H,193,247)(H,194,265)(H,195,250)(H,196,257)(H,197,240)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,249)(H,209,259)(H,210,264)(H,211,255)(H,212,231)(H,213,251)(H,232,233)(H,234,235)(H4,178,179,181)(H,214,252,260)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115-,116+,117+,118+,119+,130+,131+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50263383
(CHEMBL4079142)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H263N49O49S6/c1-13-83(7)131(162(261)194-103(48-50-122(173)225)140(239)184-70-128(231)211-133(87(11)220)164(263)209-118(77-269)157(256)199-106(60-90-36-42-94(222)43-37-90)147(246)192-99(34-26-56-180-167(177)178)139(238)183-69-127(230)188-100(31-19-23-53-169)142(241)186-85(9)136(235)191-101(32-20-24-54-170)143(242)205-117(76-268)158(257)208-115(74-266)155(254)190-98(135(176)234)30-18-22-52-168)213-145(244)102(33-21-25-55-171)193-165(264)134(88(12)221)215-152(251)109(59-89-28-16-15-17-29-89)201-163(262)132(84(8)14-2)214-160(259)121-35-27-57-216(121)166(265)120(79-271)210-137(236)86(10)187-153(252)113(72-218)203-149(248)108(62-92-40-46-96(224)47-41-92)197-146(245)105(58-81(3)4)196-156(255)116(75-267)206-144(243)104(49-51-123(174)226)189-126(229)68-181-125(228)67-182-141(240)112(71-217)202-154(253)114(73-219)204-161(260)130(82(5)6)212-159(258)119(78-270)207-151(250)111(65-124(175)227)200-148(247)107(61-91-38-44-95(223)45-39-91)198-150(249)110(63-93-66-179-80-185-93)195-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,217-224,266-271H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,234)(H,179,185)(H,181,228)(H,182,240)(H,183,238)(H,184,239)(H,186,241)(H,187,252)(H,188,230)(H,189,229)(H,190,254)(H,191,235)(H,192,246)(H,193,264)(H,194,261)(H,195,237)(H,196,255)(H,197,245)(H,198,249)(H,199,256)(H,200,247)(H,201,262)(H,202,253)(H,203,248)(H,204,260)(H,205,242)(H,206,243)(H,207,250)(H,208,257)(H,209,263)(H,210,236)(H,211,231)(H,212,258)(H,213,244)(H,214,259)(H,215,251)(H,232,233)(H4,177,178,180)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50263393
(CHEMBL4072638)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C165H268N52O51S6/c1-80(2)56-99(142(246)191-94(41-44-120(172)224)134(238)184-69-127(231)213-130(83(7)221)160(264)211-115(77-273)153(257)195-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)147(251)194-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)146(250)209-114(76-272)156(260)210-111(73-269)152(256)187-90(132(177)236)28-12-17-47-166)196-136(240)92(30-14-19-49-168)193-161(265)131(84(8)222)214-148(252)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(268)116(78-274)212-151(255)109(71-219)205-150(254)108(70-218)204-137(241)93(33-22-52-181-165(178)179)190-141(245)100(57-81(3)4)197-155(259)113(75-271)208-144(248)102(59-85-26-10-9-11-27-85)186-126(230)68-182-125(229)67-183-135(239)104(61-87-66-180-79-185-87)200-140(244)96(43-46-122(174)226)192-143(247)101(58-82(5)6)198-154(258)112(74-270)207-138(242)91(29-13-18-48-167)189-145(249)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)188-133(237)89(171)62-128(232)233/h9-11,26-27,37-40,66,79-84,89-119,130-131,218-223,269-274H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,186,230)(H,187,256)(H,188,237)(H,189,249)(H,190,245)(H,191,246)(H,192,247)(H,193,265)(H,194,251)(H,195,257)(H,196,240)(H,197,259)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,248)(H,209,250)(H,210,260)(H,211,264)(H,212,255)(H,213,231)(H,214,252)(H,232,233)(H,234,235)(H4,178,179,181)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,130+,131+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50263383
(CHEMBL4079142)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H263N49O49S6/c1-13-83(7)131(162(261)194-103(48-50-122(173)225)140(239)184-70-128(231)211-133(87(11)220)164(263)209-118(77-269)157(256)199-106(60-90-36-42-94(222)43-37-90)147(246)192-99(34-26-56-180-167(177)178)139(238)183-69-127(230)188-100(31-19-23-53-169)142(241)186-85(9)136(235)191-101(32-20-24-54-170)143(242)205-117(76-268)158(257)208-115(74-266)155(254)190-98(135(176)234)30-18-22-52-168)213-145(244)102(33-21-25-55-171)193-165(264)134(88(12)221)215-152(251)109(59-89-28-16-15-17-29-89)201-163(262)132(84(8)14-2)214-160(259)121-35-27-57-216(121)166(265)120(79-271)210-137(236)86(10)187-153(252)113(72-218)203-149(248)108(62-92-40-46-96(224)47-41-92)197-146(245)105(58-81(3)4)196-156(255)116(75-267)206-144(243)104(49-51-123(174)226)189-126(229)68-181-125(228)67-182-141(240)112(71-217)202-154(253)114(73-219)204-161(260)130(82(5)6)212-159(258)119(78-270)207-151(250)111(65-124(175)227)200-148(247)107(61-91-38-44-95(223)45-39-91)198-150(249)110(63-93-66-179-80-185-93)195-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,217-224,266-271H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,234)(H,179,185)(H,181,228)(H,182,240)(H,183,238)(H,184,239)(H,186,241)(H,187,252)(H,188,230)(H,189,229)(H,190,254)(H,191,235)(H,192,246)(H,193,264)(H,194,261)(H,195,237)(H,196,255)(H,197,245)(H,198,249)(H,199,256)(H,200,247)(H,201,262)(H,202,253)(H,203,248)(H,204,260)(H,205,242)(H,206,243)(H,207,250)(H,208,257)(H,209,263)(H,210,236)(H,211,231)(H,212,258)(H,213,244)(H,214,259)(H,215,251)(H,232,233)(H4,177,178,180)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50263382
(CHEMBL4065418)Show SMILES CC(C)C[C@@H]1N[C@H]2CSSC[C@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC2=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C165H262N52O51S6/c1-80(2)56-99-141(245)191-93(33-22-52-181-165(178)179)137(241)204-108(70-218)150(254)205-109(71-219)151(255)211-116-78-274-273-74-112(152(256)188-90(132(177)236)28-12-17-47-166)209-155(259)114-76-271-270-75-113(207-138(242)91(29-13-18-48-167)190-144(248)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)189-133(237)89(171)62-128(232)233)154(258)198-101(58-82(5)6)143(247)193-96(43-46-122(174)226)140(244)200-104(61-87-66-180-79-185-87)135(239)183-67-125(229)182-68-126(230)187-102(59-85-26-10-9-11-27-85)148(252)214-156(260)111(186-99)73-269-272-77-115(153(257)196-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)146(250)195-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)145(249)208-114)210-160(264)130(83(7)221)212-127(231)69-184-134(238)94(41-44-120(172)224)192-142(246)100(57-81(3)4)197-136(240)92(30-14-19-49-168)194-161(265)131(84(8)222)213-147(251)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(116)268/h9-11,26-27,37-40,66,79-84,89-119,130-131,186,218-223H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,187,230)(H,188,256)(H,189,237)(H,190,248)(H,191,245)(H,192,246)(H,193,247)(H,194,265)(H,195,250)(H,196,257)(H,197,240)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,249)(H,209,259)(H,210,264)(H,211,255)(H,212,231)(H,213,251)(H,232,233)(H,234,235)(H4,178,179,181)(H,214,252,260)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115-,116+,117+,118+,119+,130+,131+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50263383
(CHEMBL4079142)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H263N49O49S6/c1-13-83(7)131(162(261)194-103(48-50-122(173)225)140(239)184-70-128(231)211-133(87(11)220)164(263)209-118(77-269)157(256)199-106(60-90-36-42-94(222)43-37-90)147(246)192-99(34-26-56-180-167(177)178)139(238)183-69-127(230)188-100(31-19-23-53-169)142(241)186-85(9)136(235)191-101(32-20-24-54-170)143(242)205-117(76-268)158(257)208-115(74-266)155(254)190-98(135(176)234)30-18-22-52-168)213-145(244)102(33-21-25-55-171)193-165(264)134(88(12)221)215-152(251)109(59-89-28-16-15-17-29-89)201-163(262)132(84(8)14-2)214-160(259)121-35-27-57-216(121)166(265)120(79-271)210-137(236)86(10)187-153(252)113(72-218)203-149(248)108(62-92-40-46-96(224)47-41-92)197-146(245)105(58-81(3)4)196-156(255)116(75-267)206-144(243)104(49-51-123(174)226)189-126(229)68-181-125(228)67-182-141(240)112(71-217)202-154(253)114(73-219)204-161(260)130(82(5)6)212-159(258)119(78-270)207-151(250)111(65-124(175)227)200-148(247)107(61-91-38-44-95(223)45-39-91)198-150(249)110(63-93-66-179-80-185-93)195-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,217-224,266-271H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,234)(H,179,185)(H,181,228)(H,182,240)(H,183,238)(H,184,239)(H,186,241)(H,187,252)(H,188,230)(H,189,229)(H,190,254)(H,191,235)(H,192,246)(H,193,264)(H,194,261)(H,195,237)(H,196,255)(H,197,245)(H,198,249)(H,199,256)(H,200,247)(H,201,262)(H,202,253)(H,203,248)(H,204,260)(H,205,242)(H,206,243)(H,207,250)(H,208,257)(H,209,263)(H,210,236)(H,211,231)(H,212,258)(H,213,244)(H,214,259)(H,215,251)(H,232,233)(H4,177,178,180)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-MSH from human MC1R expressed in HEK293T cells after 2 hrs by DELFIA method |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263382
(CHEMBL4065418)Show SMILES CC(C)C[C@@H]1N[C@H]2CSSC[C@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC2=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C165H262N52O51S6/c1-80(2)56-99-141(245)191-93(33-22-52-181-165(178)179)137(241)204-108(70-218)150(254)205-109(71-219)151(255)211-116-78-274-273-74-112(152(256)188-90(132(177)236)28-12-17-47-166)209-155(259)114-76-271-270-75-113(207-138(242)91(29-13-18-48-167)190-144(248)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)189-133(237)89(171)62-128(232)233)154(258)198-101(58-82(5)6)143(247)193-96(43-46-122(174)226)140(244)200-104(61-87-66-180-79-185-87)135(239)183-67-125(229)182-68-126(230)187-102(59-85-26-10-9-11-27-85)148(252)214-156(260)111(186-99)73-269-272-77-115(153(257)196-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)146(250)195-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)145(249)208-114)210-160(264)130(83(7)221)212-127(231)69-184-134(238)94(41-44-120(172)224)192-142(246)100(57-81(3)4)197-136(240)92(30-14-19-49-168)194-161(265)131(84(8)222)213-147(251)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(116)268/h9-11,26-27,37-40,66,79-84,89-119,130-131,186,218-223H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,187,230)(H,188,256)(H,189,237)(H,190,248)(H,191,245)(H,192,246)(H,193,247)(H,194,265)(H,195,250)(H,196,257)(H,197,240)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,249)(H,209,259)(H,210,264)(H,211,255)(H,212,231)(H,213,251)(H,232,233)(H,234,235)(H4,178,179,181)(H,214,252,260)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115-,116+,117+,118+,119+,130+,131+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-MSH from human MC1R expressed in HEK293T cells after 2 hrs by DELFIA method |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263382
(CHEMBL4065418)Show SMILES CC(C)C[C@@H]1N[C@H]2CSSC[C@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC2=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C165H262N52O51S6/c1-80(2)56-99-141(245)191-93(33-22-52-181-165(178)179)137(241)204-108(70-218)150(254)205-109(71-219)151(255)211-116-78-274-273-74-112(152(256)188-90(132(177)236)28-12-17-47-166)209-155(259)114-76-271-270-75-113(207-138(242)91(29-13-18-48-167)190-144(248)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)189-133(237)89(171)62-128(232)233)154(258)198-101(58-82(5)6)143(247)193-96(43-46-122(174)226)140(244)200-104(61-87-66-180-79-185-87)135(239)183-67-125(229)182-68-126(230)187-102(59-85-26-10-9-11-27-85)148(252)214-156(260)111(186-99)73-269-272-77-115(153(257)196-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)146(250)195-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)145(249)208-114)210-160(264)130(83(7)221)212-127(231)69-184-134(238)94(41-44-120(172)224)192-142(246)100(57-81(3)4)197-136(240)92(30-14-19-49-168)194-161(265)131(84(8)222)213-147(251)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(116)268/h9-11,26-27,37-40,66,79-84,89-119,130-131,186,218-223H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,187,230)(H,188,256)(H,189,237)(H,190,248)(H,191,245)(H,192,246)(H,193,247)(H,194,265)(H,195,250)(H,196,257)(H,197,240)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,249)(H,209,259)(H,210,264)(H,211,255)(H,212,231)(H,213,251)(H,232,233)(H,234,235)(H4,178,179,181)(H,214,252,260)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115-,116+,117+,118+,119+,130+,131+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263383
(CHEMBL4079142)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H263N49O49S6/c1-13-83(7)131(162(261)194-103(48-50-122(173)225)140(239)184-70-128(231)211-133(87(11)220)164(263)209-118(77-269)157(256)199-106(60-90-36-42-94(222)43-37-90)147(246)192-99(34-26-56-180-167(177)178)139(238)183-69-127(230)188-100(31-19-23-53-169)142(241)186-85(9)136(235)191-101(32-20-24-54-170)143(242)205-117(76-268)158(257)208-115(74-266)155(254)190-98(135(176)234)30-18-22-52-168)213-145(244)102(33-21-25-55-171)193-165(264)134(88(12)221)215-152(251)109(59-89-28-16-15-17-29-89)201-163(262)132(84(8)14-2)214-160(259)121-35-27-57-216(121)166(265)120(79-271)210-137(236)86(10)187-153(252)113(72-218)203-149(248)108(62-92-40-46-96(224)47-41-92)197-146(245)105(58-81(3)4)196-156(255)116(75-267)206-144(243)104(49-51-123(174)226)189-126(229)68-181-125(228)67-182-141(240)112(71-217)202-154(253)114(73-219)204-161(260)130(82(5)6)212-159(258)119(78-270)207-151(250)111(65-124(175)227)200-148(247)107(61-91-38-44-95(223)45-39-91)198-150(249)110(63-93-66-179-80-185-93)195-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,217-224,266-271H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,234)(H,179,185)(H,181,228)(H,182,240)(H,183,238)(H,184,239)(H,186,241)(H,187,252)(H,188,230)(H,189,229)(H,190,254)(H,191,235)(H,192,246)(H,193,264)(H,194,261)(H,195,237)(H,196,255)(H,197,245)(H,198,249)(H,199,256)(H,200,247)(H,201,262)(H,202,253)(H,203,248)(H,204,260)(H,205,242)(H,206,243)(H,207,250)(H,208,257)(H,209,263)(H,210,236)(H,211,231)(H,212,258)(H,213,244)(H,214,259)(H,215,251)(H,232,233)(H4,177,178,180)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263382
(CHEMBL4065418)Show SMILES CC(C)C[C@@H]1N[C@H]2CSSC[C@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC2=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C165H262N52O51S6/c1-80(2)56-99-141(245)191-93(33-22-52-181-165(178)179)137(241)204-108(70-218)150(254)205-109(71-219)151(255)211-116-78-274-273-74-112(152(256)188-90(132(177)236)28-12-17-47-166)209-155(259)114-76-271-270-75-113(207-138(242)91(29-13-18-48-167)190-144(248)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)189-133(237)89(171)62-128(232)233)154(258)198-101(58-82(5)6)143(247)193-96(43-46-122(174)226)140(244)200-104(61-87-66-180-79-185-87)135(239)183-67-125(229)182-68-126(230)187-102(59-85-26-10-9-11-27-85)148(252)214-156(260)111(186-99)73-269-272-77-115(153(257)196-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)146(250)195-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)145(249)208-114)210-160(264)130(83(7)221)212-127(231)69-184-134(238)94(41-44-120(172)224)192-142(246)100(57-81(3)4)197-136(240)92(30-14-19-49-168)194-161(265)131(84(8)222)213-147(251)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(116)268/h9-11,26-27,37-40,66,79-84,89-119,130-131,186,218-223H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,187,230)(H,188,256)(H,189,237)(H,190,248)(H,191,245)(H,192,246)(H,193,247)(H,194,265)(H,195,250)(H,196,257)(H,197,240)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,249)(H,209,259)(H,210,264)(H,211,255)(H,212,231)(H,213,251)(H,232,233)(H,234,235)(H4,178,179,181)(H,214,252,260)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115-,116+,117+,118+,119+,130+,131+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263381
(CHEMBL4097903)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2[C@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H256N48O50S6/c1-13-83(7)131-163(262)193-103(48-50-122(173)224)140(239)183-70-127(229)209-133(87(11)219)165(264)208-118-77-268-266-74-116-156(255)195-105(58-81(3)4)146(245)196-108(62-92-40-46-96(223)47-41-92)149(248)202-113(72-217)153(252)186-86(10)137(236)214-161(260)121(215-57-27-35-120(215)160(259)212-132(84(8)14-2)164(263)200-109(59-89-28-16-15-17-29-89)152(251)213-134(88(12)220)166(265)192-102(145(244)211-131)33-21-25-55-171)79-271-270-76-115(155(254)189-98(135(175)234)30-18-22-52-168)207-158(257)117(204-143(242)101(32-20-24-54-170)190-136(235)85(9)185-142(241)100(31-19-23-53-169)187-126(228)69-182-139(238)99(34-26-56-179-167(176)177)191-147(246)106(198-157(118)256)60-90-36-42-94(221)43-37-90)75-267-269-78-119(159(258)210-130(82(5)6)162(261)203-114(73-218)154(253)201-112(71-216)141(240)181-67-124(226)180-68-125(227)188-104(144(243)205-116)49-51-128(230)231)206-151(250)111(65-123(174)225)199-148(247)107(61-91-38-44-95(222)45-39-91)197-150(249)110(63-93-66-178-80-184-93)194-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,216-223H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,224)(H2,174,225)(H2,175,234)(H,178,184)(H,180,226)(H,181,240)(H,182,238)(H,183,239)(H,185,241)(H,186,252)(H,187,228)(H,188,227)(H,189,254)(H,190,235)(H,191,246)(H,192,265)(H,193,262)(H,194,237)(H,195,255)(H,196,245)(H,197,249)(H,198,256)(H,199,247)(H,200,263)(H,201,253)(H,202,248)(H,203,261)(H,204,242)(H,205,243)(H,206,250)(H,207,257)(H,208,264)(H,209,229)(H,210,258)(H,211,244)(H,212,259)(H,213,251)(H,230,231)(H,232,233)(H4,176,177,179)(H,214,236,260)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50263393
(CHEMBL4072638)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C165H268N52O51S6/c1-80(2)56-99(142(246)191-94(41-44-120(172)224)134(238)184-69-127(231)213-130(83(7)221)160(264)211-115(77-273)153(257)195-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)147(251)194-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)146(250)209-114(76-272)156(260)210-111(73-269)152(256)187-90(132(177)236)28-12-17-47-166)196-136(240)92(30-14-19-49-168)193-161(265)131(84(8)222)214-148(252)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(268)116(78-274)212-151(255)109(71-219)205-150(254)108(70-218)204-137(241)93(33-22-52-181-165(178)179)190-141(245)100(57-81(3)4)197-155(259)113(75-271)208-144(248)102(59-85-26-10-9-11-27-85)186-126(230)68-182-125(229)67-183-135(239)104(61-87-66-180-79-185-87)200-140(244)96(43-46-122(174)226)192-143(247)101(58-82(5)6)198-154(258)112(74-270)207-138(242)91(29-13-18-48-167)189-145(249)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)188-133(237)89(171)62-128(232)233/h9-11,26-27,37-40,66,79-84,89-119,130-131,218-223,269-274H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,186,230)(H,187,256)(H,188,237)(H,189,249)(H,190,245)(H,191,246)(H,192,247)(H,193,265)(H,194,251)(H,195,257)(H,196,240)(H,197,259)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,248)(H,209,250)(H,210,260)(H,211,264)(H,212,255)(H,213,231)(H,214,252)(H,232,233)(H,234,235)(H4,178,179,181)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,130+,131+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50263382
(CHEMBL4065418)Show SMILES CC(C)C[C@@H]1N[C@H]2CSSC[C@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC2=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C165H262N52O51S6/c1-80(2)56-99-141(245)191-93(33-22-52-181-165(178)179)137(241)204-108(70-218)150(254)205-109(71-219)151(255)211-116-78-274-273-74-112(152(256)188-90(132(177)236)28-12-17-47-166)209-155(259)114-76-271-270-75-113(207-138(242)91(29-13-18-48-167)190-144(248)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)189-133(237)89(171)62-128(232)233)154(258)198-101(58-82(5)6)143(247)193-96(43-46-122(174)226)140(244)200-104(61-87-66-180-79-185-87)135(239)183-67-125(229)182-68-126(230)187-102(59-85-26-10-9-11-27-85)148(252)214-156(260)111(186-99)73-269-272-77-115(153(257)196-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)146(250)195-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)145(249)208-114)210-160(264)130(83(7)221)212-127(231)69-184-134(238)94(41-44-120(172)224)192-142(246)100(57-81(3)4)197-136(240)92(30-14-19-49-168)194-161(265)131(84(8)222)213-147(251)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(116)268/h9-11,26-27,37-40,66,79-84,89-119,130-131,186,218-223H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,187,230)(H,188,256)(H,189,237)(H,190,248)(H,191,245)(H,192,246)(H,193,247)(H,194,265)(H,195,250)(H,196,257)(H,197,240)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,249)(H,209,259)(H,210,264)(H,211,255)(H,212,231)(H,213,251)(H,232,233)(H,234,235)(H4,178,179,181)(H,214,252,260)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115-,116+,117+,118+,119+,130+,131+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50263381
(CHEMBL4097903)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2[C@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H256N48O50S6/c1-13-83(7)131-163(262)193-103(48-50-122(173)224)140(239)183-70-127(229)209-133(87(11)219)165(264)208-118-77-268-266-74-116-156(255)195-105(58-81(3)4)146(245)196-108(62-92-40-46-96(223)47-41-92)149(248)202-113(72-217)153(252)186-86(10)137(236)214-161(260)121(215-57-27-35-120(215)160(259)212-132(84(8)14-2)164(263)200-109(59-89-28-16-15-17-29-89)152(251)213-134(88(12)220)166(265)192-102(145(244)211-131)33-21-25-55-171)79-271-270-76-115(155(254)189-98(135(175)234)30-18-22-52-168)207-158(257)117(204-143(242)101(32-20-24-54-170)190-136(235)85(9)185-142(241)100(31-19-23-53-169)187-126(228)69-182-139(238)99(34-26-56-179-167(176)177)191-147(246)106(198-157(118)256)60-90-36-42-94(221)43-37-90)75-267-269-78-119(159(258)210-130(82(5)6)162(261)203-114(73-218)154(253)201-112(71-216)141(240)181-67-124(226)180-68-125(227)188-104(144(243)205-116)49-51-128(230)231)206-151(250)111(65-123(174)225)199-148(247)107(61-91-38-44-95(222)45-39-91)197-150(249)110(63-93-66-178-80-184-93)194-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,216-223H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,224)(H2,174,225)(H2,175,234)(H,178,184)(H,180,226)(H,181,240)(H,182,238)(H,183,239)(H,185,241)(H,186,252)(H,187,228)(H,188,227)(H,189,254)(H,190,235)(H,191,246)(H,192,265)(H,193,262)(H,194,237)(H,195,255)(H,196,245)(H,197,249)(H,198,256)(H,199,247)(H,200,263)(H,201,253)(H,202,248)(H,203,261)(H,204,242)(H,205,243)(H,206,250)(H,207,257)(H,208,264)(H,209,229)(H,210,258)(H,211,244)(H,212,259)(H,213,251)(H,230,231)(H,232,233)(H4,176,177,179)(H,214,236,260)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50263383
(CHEMBL4079142)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H263N49O49S6/c1-13-83(7)131(162(261)194-103(48-50-122(173)225)140(239)184-70-128(231)211-133(87(11)220)164(263)209-118(77-269)157(256)199-106(60-90-36-42-94(222)43-37-90)147(246)192-99(34-26-56-180-167(177)178)139(238)183-69-127(230)188-100(31-19-23-53-169)142(241)186-85(9)136(235)191-101(32-20-24-54-170)143(242)205-117(76-268)158(257)208-115(74-266)155(254)190-98(135(176)234)30-18-22-52-168)213-145(244)102(33-21-25-55-171)193-165(264)134(88(12)221)215-152(251)109(59-89-28-16-15-17-29-89)201-163(262)132(84(8)14-2)214-160(259)121-35-27-57-216(121)166(265)120(79-271)210-137(236)86(10)187-153(252)113(72-218)203-149(248)108(62-92-40-46-96(224)47-41-92)197-146(245)105(58-81(3)4)196-156(255)116(75-267)206-144(243)104(49-51-123(174)226)189-126(229)68-181-125(228)67-182-141(240)112(71-217)202-154(253)114(73-219)204-161(260)130(82(5)6)212-159(258)119(78-270)207-151(250)111(65-124(175)227)200-148(247)107(61-91-38-44-95(223)45-39-91)198-150(249)110(63-93-66-179-80-185-93)195-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,217-224,266-271H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,234)(H,179,185)(H,181,228)(H,182,240)(H,183,238)(H,184,239)(H,186,241)(H,187,252)(H,188,230)(H,189,229)(H,190,254)(H,191,235)(H,192,246)(H,193,264)(H,194,261)(H,195,237)(H,196,255)(H,197,245)(H,198,249)(H,199,256)(H,200,247)(H,201,262)(H,202,253)(H,203,248)(H,204,260)(H,205,242)(H,206,243)(H,207,250)(H,208,257)(H,209,263)(H,210,236)(H,211,231)(H,212,258)(H,213,244)(H,214,259)(H,215,251)(H,232,233)(H4,177,178,180)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.870 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | 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 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.410 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263393
(CHEMBL4072638)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C165H268N52O51S6/c1-80(2)56-99(142(246)191-94(41-44-120(172)224)134(238)184-69-127(231)213-130(83(7)221)160(264)211-115(77-273)153(257)195-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)147(251)194-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)146(250)209-114(76-272)156(260)210-111(73-269)152(256)187-90(132(177)236)28-12-17-47-166)196-136(240)92(30-14-19-49-168)193-161(265)131(84(8)222)214-148(252)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(268)116(78-274)212-151(255)109(71-219)205-150(254)108(70-218)204-137(241)93(33-22-52-181-165(178)179)190-141(245)100(57-81(3)4)197-155(259)113(75-271)208-144(248)102(59-85-26-10-9-11-27-85)186-126(230)68-182-125(229)67-183-135(239)104(61-87-66-180-79-185-87)200-140(244)96(43-46-122(174)226)192-143(247)101(58-82(5)6)198-154(258)112(74-270)207-138(242)91(29-13-18-48-167)189-145(249)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)188-133(237)89(171)62-128(232)233/h9-11,26-27,37-40,66,79-84,89-119,130-131,218-223,269-274H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,186,230)(H,187,256)(H,188,237)(H,189,249)(H,190,245)(H,191,246)(H,192,247)(H,193,265)(H,194,251)(H,195,257)(H,196,240)(H,197,259)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,248)(H,209,250)(H,210,260)(H,211,264)(H,212,255)(H,213,231)(H,214,252)(H,232,233)(H,234,235)(H4,178,179,181)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,130+,131+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-MSH from human MC1R expressed in HEK293T cells after 2 hrs by DELFIA method |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263393
(CHEMBL4072638)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C165H268N52O51S6/c1-80(2)56-99(142(246)191-94(41-44-120(172)224)134(238)184-69-127(231)213-130(83(7)221)160(264)211-115(77-273)153(257)195-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)147(251)194-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)146(250)209-114(76-272)156(260)210-111(73-269)152(256)187-90(132(177)236)28-12-17-47-166)196-136(240)92(30-14-19-49-168)193-161(265)131(84(8)222)214-148(252)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(268)116(78-274)212-151(255)109(71-219)205-150(254)108(70-218)204-137(241)93(33-22-52-181-165(178)179)190-141(245)100(57-81(3)4)197-155(259)113(75-271)208-144(248)102(59-85-26-10-9-11-27-85)186-126(230)68-182-125(229)67-183-135(239)104(61-87-66-180-79-185-87)200-140(244)96(43-46-122(174)226)192-143(247)101(58-82(5)6)198-154(258)112(74-270)207-138(242)91(29-13-18-48-167)189-145(249)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)188-133(237)89(171)62-128(232)233/h9-11,26-27,37-40,66,79-84,89-119,130-131,218-223,269-274H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,186,230)(H,187,256)(H,188,237)(H,189,249)(H,190,245)(H,191,246)(H,192,247)(H,193,265)(H,194,251)(H,195,257)(H,196,240)(H,197,259)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,248)(H,209,250)(H,210,260)(H,211,264)(H,212,255)(H,213,231)(H,214,252)(H,232,233)(H,234,235)(H4,178,179,181)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,130+,131+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50263381
(CHEMBL4097903)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2[C@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H256N48O50S6/c1-13-83(7)131-163(262)193-103(48-50-122(173)224)140(239)183-70-127(229)209-133(87(11)219)165(264)208-118-77-268-266-74-116-156(255)195-105(58-81(3)4)146(245)196-108(62-92-40-46-96(223)47-41-92)149(248)202-113(72-217)153(252)186-86(10)137(236)214-161(260)121(215-57-27-35-120(215)160(259)212-132(84(8)14-2)164(263)200-109(59-89-28-16-15-17-29-89)152(251)213-134(88(12)220)166(265)192-102(145(244)211-131)33-21-25-55-171)79-271-270-76-115(155(254)189-98(135(175)234)30-18-22-52-168)207-158(257)117(204-143(242)101(32-20-24-54-170)190-136(235)85(9)185-142(241)100(31-19-23-53-169)187-126(228)69-182-139(238)99(34-26-56-179-167(176)177)191-147(246)106(198-157(118)256)60-90-36-42-94(221)43-37-90)75-267-269-78-119(159(258)210-130(82(5)6)162(261)203-114(73-218)154(253)201-112(71-216)141(240)181-67-124(226)180-68-125(227)188-104(144(243)205-116)49-51-128(230)231)206-151(250)111(65-123(174)225)199-148(247)107(61-91-38-44-95(222)45-39-91)197-150(249)110(63-93-66-178-80-184-93)194-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,216-223H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,224)(H2,174,225)(H2,175,234)(H,178,184)(H,180,226)(H,181,240)(H,182,238)(H,183,239)(H,185,241)(H,186,252)(H,187,228)(H,188,227)(H,189,254)(H,190,235)(H,191,246)(H,192,265)(H,193,262)(H,194,237)(H,195,255)(H,196,245)(H,197,249)(H,198,256)(H,199,247)(H,200,263)(H,201,253)(H,202,248)(H,203,261)(H,204,242)(H,205,243)(H,206,250)(H,207,257)(H,208,264)(H,209,229)(H,210,258)(H,211,244)(H,212,259)(H,213,251)(H,230,231)(H,232,233)(H4,176,177,179)(H,214,236,260)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50263382
(CHEMBL4065418)Show SMILES CC(C)C[C@@H]1N[C@H]2CSSC[C@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC2=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C165H262N52O51S6/c1-80(2)56-99-141(245)191-93(33-22-52-181-165(178)179)137(241)204-108(70-218)150(254)205-109(71-219)151(255)211-116-78-274-273-74-112(152(256)188-90(132(177)236)28-12-17-47-166)209-155(259)114-76-271-270-75-113(207-138(242)91(29-13-18-48-167)190-144(248)103(60-86-37-39-88(223)40-38-86)199-139(243)95(42-45-121(173)225)189-133(237)89(171)62-128(232)233)154(258)198-101(58-82(5)6)143(247)193-96(43-46-122(174)226)140(244)200-104(61-87-66-180-79-185-87)135(239)183-67-125(229)182-68-126(230)187-102(59-85-26-10-9-11-27-85)148(252)214-156(260)111(186-99)73-269-272-77-115(153(257)196-98(32-16-21-51-170)163(267)216-54-24-35-118(216)158(262)203-107(65-129(234)235)146(250)195-97(31-15-20-50-169)162(266)215-53-23-34-117(215)157(261)202-105(63-123(175)227)145(249)208-114)210-160(264)130(83(7)221)212-127(231)69-184-134(238)94(41-44-120(172)224)192-142(246)100(57-81(3)4)197-136(240)92(30-14-19-49-168)194-161(265)131(84(8)222)213-147(251)106(64-124(176)228)201-149(253)110(72-220)206-159(263)119-36-25-55-217(119)164(116)268/h9-11,26-27,37-40,66,79-84,89-119,130-131,186,218-223H,12-25,28-36,41-65,67-78,166-171H2,1-8H3,(H2,172,224)(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,236)(H,180,185)(H,182,229)(H,183,239)(H,184,238)(H,187,230)(H,188,256)(H,189,237)(H,190,248)(H,191,245)(H,192,246)(H,193,247)(H,194,265)(H,195,250)(H,196,257)(H,197,240)(H,198,258)(H,199,243)(H,200,244)(H,201,253)(H,202,261)(H,203,262)(H,204,241)(H,205,254)(H,206,263)(H,207,242)(H,208,249)(H,209,259)(H,210,264)(H,211,255)(H,212,231)(H,213,251)(H,232,233)(H,234,235)(H4,178,179,181)(H,214,252,260)/t83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115-,116+,117+,118+,119+,130+,131+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50263381
(CHEMBL4097903)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2[C@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC2=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C167H256N48O50S6/c1-13-83(7)131-163(262)193-103(48-50-122(173)224)140(239)183-70-127(229)209-133(87(11)219)165(264)208-118-77-268-266-74-116-156(255)195-105(58-81(3)4)146(245)196-108(62-92-40-46-96(223)47-41-92)149(248)202-113(72-217)153(252)186-86(10)137(236)214-161(260)121(215-57-27-35-120(215)160(259)212-132(84(8)14-2)164(263)200-109(59-89-28-16-15-17-29-89)152(251)213-134(88(12)220)166(265)192-102(145(244)211-131)33-21-25-55-171)79-271-270-76-115(155(254)189-98(135(175)234)30-18-22-52-168)207-158(257)117(204-143(242)101(32-20-24-54-170)190-136(235)85(9)185-142(241)100(31-19-23-53-169)187-126(228)69-182-139(238)99(34-26-56-179-167(176)177)191-147(246)106(198-157(118)256)60-90-36-42-94(221)43-37-90)75-267-269-78-119(159(258)210-130(82(5)6)162(261)203-114(73-218)154(253)201-112(71-216)141(240)181-67-124(226)180-68-125(227)188-104(144(243)205-116)49-51-128(230)231)206-151(250)111(65-123(174)225)199-148(247)107(61-91-38-44-95(222)45-39-91)197-150(249)110(63-93-66-178-80-184-93)194-138(237)97(172)64-129(232)233/h15-17,28-29,36-47,66,80-88,97-121,130-134,216-223H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,224)(H2,174,225)(H2,175,234)(H,178,184)(H,180,226)(H,181,240)(H,182,238)(H,183,239)(H,185,241)(H,186,252)(H,187,228)(H,188,227)(H,189,254)(H,190,235)(H,191,246)(H,192,265)(H,193,262)(H,194,237)(H,195,255)(H,196,245)(H,197,249)(H,198,256)(H,199,247)(H,200,263)(H,201,253)(H,202,248)(H,203,261)(H,204,242)(H,205,243)(H,206,250)(H,207,257)(H,208,264)(H,209,229)(H,210,258)(H,211,244)(H,212,259)(H,213,251)(H,230,231)(H,232,233)(H4,176,177,179)(H,214,236,260)/t83-,84-,85-,86-,87+,88+,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-,130-,131-,132-,133-,134-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a |
Departments of Medicinal Chemistry and Pharmacodynamics , University of Florida , Gainesville , Florida 32610 , United States.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay |
J Med Chem 61: 3738-3744 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00251
BindingDB Entry DOI: 10.7270/Q2CV4M69 |
More data for this
Ligand-Target Pair | |
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