Compile Data Set for Download or QSAR

Found 321 hits with Last Name = 'dirain' and Initial = 'ml'   

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)	BDBM50310322 ((S)-2-(2-((S)-2-(2-acetamidoacetamido)-N-benzyl-3-...) Show SMILES CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,8.7,wD:34.34,(23.52,-9.64,;24.85,-10.41,;24.85,-11.95,;26.18,-9.64,;27.52,-10.41,;28.85,-9.64,;28.85,-8.1,;30.18,-10.41,;31.52,-9.64,;31.52,-8.09,;30.75,-6.75,;31.53,-5.42,;30.77,-4.08,;29.22,-4.07,;28.44,-5.42,;29.22,-6.75,;32.85,-10.41,;32.85,-11.95,;34.19,-9.64,;35.52,-10.41,;36.85,-9.64,;36.85,-8.1,;38.19,-10.41,;39.52,-9.64,;39.52,-8.1,;40.85,-7.33,;40.85,-5.79,;42.19,-5.02,;42.19,-3.48,;43.52,-2.71,;40.85,-2.71,;40.85,-10.41,;40.85,-11.95,;42.19,-9.64,;43.52,-10.41,;43.52,-11.95,;44.86,-12.72,;46.09,-11.78,;47.36,-12.66,;46.91,-14.13,;47.7,-15.44,;46.97,-16.79,;45.42,-16.82,;44.63,-15.5,;45.37,-14.16,;44.86,-9.64,;44.86,-8.1,;46.19,-10.41,;47.52,-9.64,;48.86,-10.41,;50.19,-9.64,;48.86,-11.95,;34.18,-8.09,;34.94,-6.75,;36.48,-6.75,;37.24,-5.41,;36.46,-4.08,;34.92,-4.09,;34.16,-5.43,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-36(55)50-34(19-27-11-4-2-5-12-27)40(59)52(24-28-13-6-3-7-14-28)25-37(56)49-32(17-10-18-45-41(43)44)39(58)51-33(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,45)/t32-,33-,34-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310326 ((S)-2-(2-(2-(2-acetamido-N-benzylacetamido)-N-benz...) Show SMILES CC(=O)NCC(=O)N(CC(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)Cc1ccccc1 |r,wU:16.15,wD:27.26,(-7.77,-25.68,;-6.43,-26.44,;-6.43,-27.98,;-5.1,-25.68,;-3.76,-26.44,;-2.43,-25.68,;-2.43,-24.14,;-1.09,-26.44,;.24,-25.68,;1.57,-26.44,;1.57,-27.98,;2.91,-25.68,;4.24,-26.44,;5.58,-25.68,;5.58,-24.14,;6.91,-26.44,;8.25,-25.68,;8.25,-24.14,;9.58,-23.36,;9.58,-21.82,;10.91,-21.05,;10.91,-19.51,;12.25,-18.74,;9.58,-18.74,;9.58,-26.44,;9.58,-27.98,;10.91,-25.68,;12.25,-26.44,;12.25,-27.98,;13.59,-28.76,;14.82,-27.82,;16.09,-28.7,;15.64,-30.18,;16.43,-31.49,;15.7,-32.83,;14.15,-32.87,;13.36,-31.55,;14.11,-30.2,;13.58,-25.68,;13.58,-24.14,;14.92,-26.44,;16.25,-25.68,;17.59,-26.44,;18.92,-25.68,;17.59,-27.98,;2.91,-24.14,;1.57,-23.36,;1.57,-21.82,;.25,-21.05,;-1.09,-21.82,;-1.08,-23.37,;.25,-24.13,;-1.09,-27.98,;-2.43,-28.76,;-3.76,-27.98,;-5.1,-28.75,;-5.1,-30.29,;-3.75,-31.06,;-2.42,-30.29,)| Show InChI InChI=1S/C41H51N11O7/c1-27(53)46-22-37(56)52(24-29-13-6-3-7-14-29)26-38(57)51(23-28-11-4-2-5-12-28)25-36(55)49-33(17-10-18-45-41(43)44)40(59)50-34(39(58)48-21-35(42)54)19-30-20-47-32-16-9-8-15-31(30)32/h2-9,11-16,20,33-34,47H,10,17-19,21-26H2,1H3,(H2,42,54)(H,46,53)(H,48,58)(H,49,55)(H,50,59)(H4,43,44,45)/t33-,34-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310320 (2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:15.15,37.39,wD:48.50,(10.67,-40.67,;9.34,-41.45,;9.34,-42.99,;8,-40.68,;6.68,-41.45,;5.34,-40.68,;5.34,-39.14,;1.3,-38.33,;1.29,-36.79,;2.61,-36.02,;-.05,-36.03,;-1.38,-36.81,;-1.37,-38.35,;-.03,-39.11,;-2.7,-39.13,;-2.69,-40.67,;-4.03,-39.89,;-4.04,-38.35,;-2.71,-37.59,;-2.72,-36.05,;-4.06,-35.28,;-5.39,-36.07,;-5.37,-37.61,;-4.02,-41.45,;-5.36,-40.69,;-4.01,-43,;-5.34,-43.77,;-6.68,-43,;-6.68,-41.46,;-8.01,-40.7,;-9.35,-41.47,;-9.34,-43.02,;-8,-43.78,;-2.67,-43.77,;-1.33,-43.01,;-1.33,-41.46,;.01,-43.77,;1.35,-43.01,;1.35,-44.55,;.01,-45.31,;.01,-46.85,;-1.33,-47.63,;-1.33,-49.17,;-2.66,-49.94,;.01,-49.94,;2.67,-43.77,;2.67,-45.31,;4.01,-43.01,;5.34,-43.77,;5.34,-45.31,;6.68,-46.09,;7.92,-45.15,;9.18,-46.03,;8.73,-47.5,;9.53,-48.81,;8.79,-50.16,;7.24,-50.19,;6.45,-48.87,;7.2,-47.53,;6.68,-42.99,;8.02,-43.75,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-38(57)51-34(22-28-10-3-1-4-11-28)42(61)54(25-29-12-5-2-6-13-29)27-39(58)50-33(16-9-19-48-43(45)46)40(59)52-35(41(53)60)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,48)/t33-,34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310321 (2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:26.27,37.39,wD:48.50,(41.43,-22.54,;40.1,-23.3,;40.1,-24.84,;38.77,-22.54,;37.44,-23.31,;36.1,-22.54,;36.09,-21,;32.06,-20.2,;32.05,-18.66,;33.38,-17.87,;30.7,-17.89,;29.37,-18.67,;29.39,-20.21,;30.73,-20.97,;28.05,-20.99,;26.72,-20.23,;26.71,-18.69,;28.05,-17.92,;28.04,-16.38,;26.69,-15.61,;25.36,-16.4,;25.38,-17.94,;28.07,-22.54,;26.74,-23.31,;25.4,-22.55,;26.75,-24.85,;28.09,-25.64,;28.08,-27.17,;26.74,-27.92,;25.41,-27.13,;24.07,-27.88,;24.05,-29.43,;25.38,-30.21,;26.72,-29.46,;29.43,-24.86,;29.43,-23.32,;30.76,-25.64,;32.11,-24.86,;32.11,-26.4,;30.77,-27.18,;30.77,-28.72,;29.43,-29.49,;29.43,-31.03,;28.1,-31.8,;30.77,-31.8,;33.43,-25.64,;33.43,-27.18,;34.77,-24.86,;36.1,-25.64,;36.1,-27.18,;37.44,-27.94,;38.67,-27.01,;39.94,-27.89,;39.49,-29.36,;40.29,-30.68,;39.55,-32.02,;38,-32.05,;37.21,-30.74,;37.95,-29.39,;37.44,-24.85,;38.78,-25.62,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-39(58)54(25-29-12-5-2-6-13-29)27-38(57)50-34(22-28-10-3-1-4-11-28)41(60)51-33(16-9-19-48-43(45)46)40(59)52-35(42(53)61)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H,52,59)(H4,45,46,48)/t33-,34+,35-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310321 (2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:26.27,37.39,wD:48.50,(41.43,-22.54,;40.1,-23.3,;40.1,-24.84,;38.77,-22.54,;37.44,-23.31,;36.1,-22.54,;36.09,-21,;32.06,-20.2,;32.05,-18.66,;33.38,-17.87,;30.7,-17.89,;29.37,-18.67,;29.39,-20.21,;30.73,-20.97,;28.05,-20.99,;26.72,-20.23,;26.71,-18.69,;28.05,-17.92,;28.04,-16.38,;26.69,-15.61,;25.36,-16.4,;25.38,-17.94,;28.07,-22.54,;26.74,-23.31,;25.4,-22.55,;26.75,-24.85,;28.09,-25.64,;28.08,-27.17,;26.74,-27.92,;25.41,-27.13,;24.07,-27.88,;24.05,-29.43,;25.38,-30.21,;26.72,-29.46,;29.43,-24.86,;29.43,-23.32,;30.76,-25.64,;32.11,-24.86,;32.11,-26.4,;30.77,-27.18,;30.77,-28.72,;29.43,-29.49,;29.43,-31.03,;28.1,-31.8,;30.77,-31.8,;33.43,-25.64,;33.43,-27.18,;34.77,-24.86,;36.1,-25.64,;36.1,-27.18,;37.44,-27.94,;38.67,-27.01,;39.94,-27.89,;39.49,-29.36,;40.29,-30.68,;39.55,-32.02,;38,-32.05,;37.21,-30.74,;37.95,-29.39,;37.44,-24.85,;38.78,-25.62,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-39(58)54(25-29-12-5-2-6-13-29)27-38(57)50-34(22-28-10-3-1-4-11-28)41(60)51-33(16-9-19-48-43(45)46)40(59)52-35(42(53)61)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H,52,59)(H4,45,46,48)/t33-,34+,35-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310320 (2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:15.15,37.39,wD:48.50,(10.67,-40.67,;9.34,-41.45,;9.34,-42.99,;8,-40.68,;6.68,-41.45,;5.34,-40.68,;5.34,-39.14,;1.3,-38.33,;1.29,-36.79,;2.61,-36.02,;-.05,-36.03,;-1.38,-36.81,;-1.37,-38.35,;-.03,-39.11,;-2.7,-39.13,;-2.69,-40.67,;-4.03,-39.89,;-4.04,-38.35,;-2.71,-37.59,;-2.72,-36.05,;-4.06,-35.28,;-5.39,-36.07,;-5.37,-37.61,;-4.02,-41.45,;-5.36,-40.69,;-4.01,-43,;-5.34,-43.77,;-6.68,-43,;-6.68,-41.46,;-8.01,-40.7,;-9.35,-41.47,;-9.34,-43.02,;-8,-43.78,;-2.67,-43.77,;-1.33,-43.01,;-1.33,-41.46,;.01,-43.77,;1.35,-43.01,;1.35,-44.55,;.01,-45.31,;.01,-46.85,;-1.33,-47.63,;-1.33,-49.17,;-2.66,-49.94,;.01,-49.94,;2.67,-43.77,;2.67,-45.31,;4.01,-43.01,;5.34,-43.77,;5.34,-45.31,;6.68,-46.09,;7.92,-45.15,;9.18,-46.03,;8.73,-47.5,;9.53,-48.81,;8.79,-50.16,;7.24,-50.19,;6.45,-48.87,;7.2,-47.53,;6.68,-42.99,;8.02,-43.75,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-38(57)51-34(22-28-10-3-1-4-11-28)42(61)54(25-29-12-5-2-6-13-29)27-39(58)50-33(16-9-19-48-43(45)46)40(59)52-35(41(53)60)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,48)/t33-,34-,35-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310326 ((S)-2-(2-(2-(2-acetamido-N-benzylacetamido)-N-benz...) Show SMILES CC(=O)NCC(=O)N(CC(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)Cc1ccccc1 |r,wU:16.15,wD:27.26,(-7.77,-25.68,;-6.43,-26.44,;-6.43,-27.98,;-5.1,-25.68,;-3.76,-26.44,;-2.43,-25.68,;-2.43,-24.14,;-1.09,-26.44,;.24,-25.68,;1.57,-26.44,;1.57,-27.98,;2.91,-25.68,;4.24,-26.44,;5.58,-25.68,;5.58,-24.14,;6.91,-26.44,;8.25,-25.68,;8.25,-24.14,;9.58,-23.36,;9.58,-21.82,;10.91,-21.05,;10.91,-19.51,;12.25,-18.74,;9.58,-18.74,;9.58,-26.44,;9.58,-27.98,;10.91,-25.68,;12.25,-26.44,;12.25,-27.98,;13.59,-28.76,;14.82,-27.82,;16.09,-28.7,;15.64,-30.18,;16.43,-31.49,;15.7,-32.83,;14.15,-32.87,;13.36,-31.55,;14.11,-30.2,;13.58,-25.68,;13.58,-24.14,;14.92,-26.44,;16.25,-25.68,;17.59,-26.44,;18.92,-25.68,;17.59,-27.98,;2.91,-24.14,;1.57,-23.36,;1.57,-21.82,;.25,-21.05,;-1.09,-21.82,;-1.08,-23.37,;.25,-24.13,;-1.09,-27.98,;-2.43,-28.76,;-3.76,-27.98,;-5.1,-28.75,;-5.1,-30.29,;-3.75,-31.06,;-2.42,-30.29,)| Show InChI InChI=1S/C41H51N11O7/c1-27(53)46-22-37(56)52(24-29-13-6-3-7-14-29)26-38(57)51(23-28-11-4-2-5-12-28)25-36(55)49-33(17-10-18-45-41(43)44)40(59)50-34(39(58)48-21-35(42)54)19-30-20-47-32-16-9-8-15-31(30)32/h2-9,11-16,20,33-34,47H,10,17-19,21-26H2,1H3,(H2,42,54)(H,46,53)(H,48,58)(H,49,55)(H,50,59)(H4,43,44,45)/t33-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310322 ((S)-2-(2-((S)-2-(2-acetamidoacetamido)-N-benzyl-3-...) Show SMILES CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,8.7,wD:34.34,(23.52,-9.64,;24.85,-10.41,;24.85,-11.95,;26.18,-9.64,;27.52,-10.41,;28.85,-9.64,;28.85,-8.1,;30.18,-10.41,;31.52,-9.64,;31.52,-8.09,;30.75,-6.75,;31.53,-5.42,;30.77,-4.08,;29.22,-4.07,;28.44,-5.42,;29.22,-6.75,;32.85,-10.41,;32.85,-11.95,;34.19,-9.64,;35.52,-10.41,;36.85,-9.64,;36.85,-8.1,;38.19,-10.41,;39.52,-9.64,;39.52,-8.1,;40.85,-7.33,;40.85,-5.79,;42.19,-5.02,;42.19,-3.48,;43.52,-2.71,;40.85,-2.71,;40.85,-10.41,;40.85,-11.95,;42.19,-9.64,;43.52,-10.41,;43.52,-11.95,;44.86,-12.72,;46.09,-11.78,;47.36,-12.66,;46.91,-14.13,;47.7,-15.44,;46.97,-16.79,;45.42,-16.82,;44.63,-15.5,;45.37,-14.16,;44.86,-9.64,;44.86,-8.1,;46.19,-10.41,;47.52,-9.64,;48.86,-10.41,;50.19,-9.64,;48.86,-11.95,;34.18,-8.09,;34.94,-6.75,;36.48,-6.75,;37.24,-5.41,;36.46,-4.08,;34.92,-4.09,;34.16,-5.43,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-36(55)50-34(19-27-11-4-2-5-12-27)40(59)52(24-28-13-6-3-7-14-28)25-37(56)49-32(17-10-18-45-41(43)44)39(58)51-33(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,45)/t32-,33-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310323 ((S)-2-((R)-2-(2-(2-acetamido-N-benzylacetamido)ace...) Show SMILES CC(=O)NCC(=O)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,12.11,wD:34.34,(-10.03,-9.43,;-8.69,-10.2,;-8.69,-11.74,;-7.36,-9.43,;-6.02,-10.2,;-4.69,-9.43,;-4.69,-7.89,;-3.35,-10.2,;-2.02,-9.43,;-.69,-10.2,;-.69,-11.74,;.64,-9.43,;1.98,-10.2,;1.98,-11.74,;3.31,-12.51,;3.31,-14.06,;4.64,-14.82,;5.98,-14.06,;5.97,-12.51,;4.64,-11.74,;3.31,-9.43,;3.31,-7.89,;4.65,-10.2,;5.98,-9.43,;5.98,-7.89,;7.31,-7.1,;7.29,-5.56,;5.95,-4.81,;5.93,-3.29,;4.58,-2.53,;7.25,-2.5,;7.32,-10.2,;7.32,-11.74,;8.65,-9.43,;9.98,-10.2,;9.98,-11.74,;11.32,-12.51,;12.55,-11.58,;13.82,-12.46,;13.38,-13.93,;14.16,-15.24,;13.43,-16.59,;11.89,-16.62,;11.09,-15.3,;11.84,-13.96,;11.32,-9.43,;11.32,-7.89,;12.65,-10.2,;13.99,-9.43,;15.32,-10.2,;16.65,-9.43,;15.32,-11.74,;-3.35,-11.74,;-4.69,-12.51,;-6.02,-11.73,;-7.35,-12.5,;-7.35,-14.05,;-6.01,-14.81,;-4.68,-14.04,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-37(56)52(24-28-13-6-3-7-14-28)25-36(55)49-33(19-27-11-4-2-5-12-27)40(59)50-32(17-10-18-45-41(43)44)39(58)51-34(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,55)(H,50,59)(H,51,58)(H4,43,44,45)/t32-,33+,34-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.82E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310324 (CHEMBL589515 | Phe-D-Phe-Arg-Trp-NH2) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:34.35,wD:1.0,12.12,23.24,(-11.51,1.41,;-10.19,.63,;-10.2,-.91,;-8.88,-1.7,;-8.89,-3.23,;-7.56,-4.02,;-6.22,-3.26,;-6.21,-1.72,;-7.54,-.94,;-8.85,1.38,;-8.83,2.93,;-7.52,.6,;-6.18,1.36,;-6.16,2.9,;-4.82,3.66,;-4.81,5.2,;-3.47,5.96,;-2.14,5.17,;-2.16,3.63,;-3.5,2.88,;-4.85,.58,;-4.87,-.96,;-3.51,1.33,;-2.19,.55,;-2.2,-.99,;-.88,-1.77,;-.89,-3.31,;.44,-4.1,;.43,-5.63,;1.75,-6.42,;-.91,-6.39,;-.84,1.31,;-.82,2.85,;.48,.52,;1.83,1.28,;1.85,2.83,;3.18,3.58,;4.44,2.69,;5.67,3.61,;5.18,5.07,;5.93,6.41,;5.15,7.75,;3.61,7.73,;2.86,6.38,;3.64,5.05,;3.15,.51,;4.5,1.26,;3.14,-1.04,)| Show InChI InChI=1S/C35H43N9O4/c36-26(18-22-10-3-1-4-11-22)32(46)44-30(19-23-12-5-2-6-13-23)34(48)42-28(16-9-17-40-35(38)39)33(47)43-29(31(37)45)20-24-21-41-27-15-8-7-14-25(24)27/h1-8,10-15,21,26,28-30,41H,9,16-20,36H2,(H2,37,45)(H,42,48)(H,43,47)(H,44,46)(H4,38,39,40)/t26-,28-,29-,30+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	503	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310323 ((S)-2-((R)-2-(2-(2-acetamido-N-benzylacetamido)ace...) Show SMILES CC(=O)NCC(=O)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,12.11,wD:34.34,(-10.03,-9.43,;-8.69,-10.2,;-8.69,-11.74,;-7.36,-9.43,;-6.02,-10.2,;-4.69,-9.43,;-4.69,-7.89,;-3.35,-10.2,;-2.02,-9.43,;-.69,-10.2,;-.69,-11.74,;.64,-9.43,;1.98,-10.2,;1.98,-11.74,;3.31,-12.51,;3.31,-14.06,;4.64,-14.82,;5.98,-14.06,;5.97,-12.51,;4.64,-11.74,;3.31,-9.43,;3.31,-7.89,;4.65,-10.2,;5.98,-9.43,;5.98,-7.89,;7.31,-7.1,;7.29,-5.56,;5.95,-4.81,;5.93,-3.29,;4.58,-2.53,;7.25,-2.5,;7.32,-10.2,;7.32,-11.74,;8.65,-9.43,;9.98,-10.2,;9.98,-11.74,;11.32,-12.51,;12.55,-11.58,;13.82,-12.46,;13.38,-13.93,;14.16,-15.24,;13.43,-16.59,;11.89,-16.62,;11.09,-15.3,;11.84,-13.96,;11.32,-9.43,;11.32,-7.89,;12.65,-10.2,;13.99,-9.43,;15.32,-10.2,;16.65,-9.43,;15.32,-11.74,;-3.35,-11.74,;-4.69,-12.51,;-6.02,-11.73,;-7.35,-12.5,;-7.35,-14.05,;-6.01,-14.81,;-4.68,-14.04,)| Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-37(56)52(24-28-13-6-3-7-14-28)25-36(55)49-33(19-27-11-4-2-5-12-27)40(59)50-32(17-10-18-45-41(43)44)39(58)51-34(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,55)(H,50,59)(H,51,58)(H4,43,44,45)/t32-,33+,34-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310324 (CHEMBL589515 | Phe-D-Phe-Arg-Trp-NH2) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:34.35,wD:1.0,12.12,23.24,(-11.51,1.41,;-10.19,.63,;-10.2,-.91,;-8.88,-1.7,;-8.89,-3.23,;-7.56,-4.02,;-6.22,-3.26,;-6.21,-1.72,;-7.54,-.94,;-8.85,1.38,;-8.83,2.93,;-7.52,.6,;-6.18,1.36,;-6.16,2.9,;-4.82,3.66,;-4.81,5.2,;-3.47,5.96,;-2.14,5.17,;-2.16,3.63,;-3.5,2.88,;-4.85,.58,;-4.87,-.96,;-3.51,1.33,;-2.19,.55,;-2.2,-.99,;-.88,-1.77,;-.89,-3.31,;.44,-4.1,;.43,-5.63,;1.75,-6.42,;-.91,-6.39,;-.84,1.31,;-.82,2.85,;.48,.52,;1.83,1.28,;1.85,2.83,;3.18,3.58,;4.44,2.69,;5.67,3.61,;5.18,5.07,;5.93,6.41,;5.15,7.75,;3.61,7.73,;2.86,6.38,;3.64,5.05,;3.15,.51,;4.5,1.26,;3.14,-1.04,)| Show InChI InChI=1S/C35H43N9O4/c36-26(18-22-10-3-1-4-11-22)32(46)44-30(19-23-12-5-2-6-13-23)34(48)42-28(16-9-17-40-35(38)39)33(47)43-29(31(37)45)20-24-21-41-27-15-8-7-14-25(24)27/h1-8,10-15,21,26,28-30,41H,9,16-20,36H2,(H2,37,45)(H,42,48)(H,43,47)(H,44,46)(H4,38,39,40)/t26-,28-,29-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310319 (2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...) Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:37.39,wD:48.50,(37.65,-41.43,;36.31,-42.2,;36.32,-43.74,;34.98,-41.43,;33.66,-42.2,;32.32,-41.43,;32.31,-39.89,;28.27,-39.09,;28.26,-37.55,;29.59,-36.77,;26.92,-36.78,;25.59,-37.57,;25.6,-39.11,;26.94,-39.86,;24.27,-39.88,;22.94,-39.13,;22.93,-37.59,;24.26,-36.81,;24.25,-35.27,;22.91,-34.5,;21.58,-35.3,;21.59,-36.83,;24.28,-41.43,;22.95,-42.21,;21.62,-41.44,;22.96,-43.75,;21.64,-44.52,;20.3,-43.75,;20.3,-42.22,;18.96,-41.44,;17.63,-42.22,;17.64,-43.77,;18.97,-44.53,;24.31,-44.53,;25.65,-43.76,;25.65,-42.22,;26.98,-44.53,;28.32,-43.76,;28.32,-45.3,;26.99,-46.07,;26.99,-47.61,;25.65,-48.38,;25.65,-49.92,;24.31,-50.69,;26.99,-50.69,;29.65,-44.53,;29.65,-46.07,;30.98,-43.76,;32.32,-44.53,;32.32,-46.07,;33.66,-46.83,;34.89,-45.9,;36.16,-46.79,;35.71,-48.26,;36.5,-49.57,;35.76,-50.91,;34.22,-50.94,;33.42,-49.63,;34.17,-48.28,;33.66,-43.74,;34.99,-44.51,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-52-21-20-47-37(56)17-18-39(58)54(25-30-12-5-2-6-13-30)28-40(59)53(24-29-10-3-1-4-11-29)27-38(57)50-34(16-9-19-48-43(45)46)41(60)51-35(42(52)61)22-31-23-49-33-15-8-7-14-32(31)33/h1-8,10-15,23,34-35,49H,9,16-22,24-28H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H4,45,46,48)/t34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310325 (2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:28.29,39.41,wD:50.52,(33.21,-20.02,;31.88,-20.79,;31.88,-22.33,;30.54,-20.03,;29.22,-20.8,;27.88,-20.04,;27.87,-18.5,;26.54,-17.73,;26.49,-16.13,;27.82,-15.35,;25.16,-15.37,;23.83,-16.15,;22.49,-15.39,;21.16,-16.17,;21.17,-17.71,;22.51,-18.47,;19.84,-18.48,;18.5,-17.72,;18.49,-16.18,;19.83,-15.41,;19.82,-13.87,;18.48,-13.11,;17.14,-13.9,;17.16,-15.43,;19.85,-20.02,;18.52,-20.8,;17.18,-20.04,;18.53,-22.34,;19.88,-23.12,;19.86,-24.66,;18.52,-25.41,;17.2,-24.62,;15.86,-25.37,;15.84,-26.91,;17.17,-27.7,;18.51,-26.94,;21.21,-22.35,;21.21,-20.81,;22.55,-23.12,;23.88,-22.35,;23.88,-23.89,;22.55,-24.66,;22.55,-26.2,;21.22,-26.97,;21.22,-28.51,;19.88,-29.28,;22.55,-29.28,;25.21,-23.12,;25.21,-24.66,;26.55,-22.35,;27.88,-23.12,;27.88,-24.66,;29.22,-25.43,;30.45,-24.5,;31.71,-25.38,;31.27,-26.85,;32.06,-28.16,;31.32,-29.5,;29.78,-29.54,;28.99,-28.22,;29.73,-26.88,;29.22,-22.34,;30.56,-23.11,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-41(60)56(27-31-14-5-2-6-15-31)29-40(59)52-36(24-30-12-3-1-4-13-30)43(62)53-35(18-11-21-50-45(47)48)42(61)54-37(44(55)63)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H,54,61)(H4,47,48,50)/t35-,36+,37-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310319 (2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...) Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:37.39,wD:48.50,(37.65,-41.43,;36.31,-42.2,;36.32,-43.74,;34.98,-41.43,;33.66,-42.2,;32.32,-41.43,;32.31,-39.89,;28.27,-39.09,;28.26,-37.55,;29.59,-36.77,;26.92,-36.78,;25.59,-37.57,;25.6,-39.11,;26.94,-39.86,;24.27,-39.88,;22.94,-39.13,;22.93,-37.59,;24.26,-36.81,;24.25,-35.27,;22.91,-34.5,;21.58,-35.3,;21.59,-36.83,;24.28,-41.43,;22.95,-42.21,;21.62,-41.44,;22.96,-43.75,;21.64,-44.52,;20.3,-43.75,;20.3,-42.22,;18.96,-41.44,;17.63,-42.22,;17.64,-43.77,;18.97,-44.53,;24.31,-44.53,;25.65,-43.76,;25.65,-42.22,;26.98,-44.53,;28.32,-43.76,;28.32,-45.3,;26.99,-46.07,;26.99,-47.61,;25.65,-48.38,;25.65,-49.92,;24.31,-50.69,;26.99,-50.69,;29.65,-44.53,;29.65,-46.07,;30.98,-43.76,;32.32,-44.53,;32.32,-46.07,;33.66,-46.83,;34.89,-45.9,;36.16,-46.79,;35.71,-48.26,;36.5,-49.57,;35.76,-50.91,;34.22,-50.94,;33.42,-49.63,;34.17,-48.28,;33.66,-43.74,;34.99,-44.51,)| Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-52-21-20-47-37(56)17-18-39(58)54(25-30-12-5-2-6-13-30)28-40(59)53(24-29-10-3-1-4-11-29)27-38(57)50-34(16-9-19-48-43(45)46)41(60)51-35(42(52)61)22-31-23-49-33-15-8-7-14-32(31)33/h1-8,10-15,23,34-35,49H,9,16-22,24-28H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H4,45,46,48)/t34-,35-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310316 (2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...) Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:38.40,wD:49.51,(10.15,-18.94,;8.82,-19.71,;8.82,-21.25,;7.48,-18.95,;6.15,-19.72,;4.82,-18.95,;4.81,-17.41,;3.43,-15.05,;2.09,-14.29,;2.08,-12.75,;.77,-15.07,;-.57,-14.31,;-1.9,-15.08,;-1.89,-16.62,;-.55,-17.39,;-3.22,-17.4,;-4.56,-16.64,;-4.57,-15.1,;-3.23,-14.33,;-3.24,-12.79,;-4.58,-12.03,;-5.92,-12.82,;-5.9,-14.35,;-3.21,-18.94,;-4.54,-19.72,;-5.88,-18.96,;-4.53,-21.26,;-5.86,-22.04,;-7.19,-21.27,;-7.19,-19.73,;-8.53,-18.97,;-9.86,-19.74,;-9.85,-21.29,;-8.52,-22.05,;-3.18,-22.04,;-1.85,-21.27,;-1.85,-19.73,;-.52,-22.04,;.82,-21.27,;.82,-22.81,;-.51,-23.58,;-.51,-25.12,;-1.84,-25.89,;-1.84,-27.43,;-3.18,-28.2,;-.51,-28.2,;2.15,-22.04,;2.15,-23.58,;3.49,-21.27,;4.82,-22.04,;4.82,-23.58,;6.16,-24.35,;7.39,-23.42,;8.65,-24.3,;8.21,-25.77,;9,-27.08,;8.26,-28.42,;6.72,-28.46,;5.93,-27.14,;6.67,-25.8,;6.16,-21.26,;7.5,-22.02,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-53-22-21-48-38(57)18-9-19-40(59)55(26-31-13-5-2-6-14-31)29-41(60)54(25-30-11-3-1-4-12-30)28-39(58)51-35(17-10-20-49-44(46)47)42(61)52-36(43(53)62)23-32-24-50-34-16-8-7-15-33(32)34/h1-8,11-16,24,35-36,50H,9-10,17-23,25-29H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H4,46,47,49)/t35-,36-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310318 (2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:27.28,38.40,wD:49.51,(8.11,-.38,;6.78,-1.16,;6.78,-2.7,;5.44,-.39,;4.12,-1.16,;2.78,-.4,;2.77,1.14,;1.39,3.51,;.06,4.27,;.05,5.81,;-1.27,3.49,;-2.61,4.25,;-3.94,3.47,;-3.93,1.93,;-2.59,1.17,;-5.26,1.15,;-6.6,1.92,;-6.61,3.46,;-5.27,4.23,;-5.28,5.77,;-6.62,6.53,;-7.96,5.74,;-7.94,4.21,;-5.25,-.39,;-6.58,-1.16,;-7.91,-.4,;-6.56,-2.7,;-5.22,-3.48,;-5.24,-5.02,;-6.58,-5.77,;-7.9,-4.98,;-9.24,-5.73,;-9.26,-7.27,;-7.93,-8.06,;-6.59,-7.3,;-3.89,-2.71,;-3.89,-1.17,;-2.55,-3.48,;-1.21,-2.71,;-1.21,-4.25,;-2.55,-5.02,;-2.55,-6.56,;-3.88,-7.33,;-3.88,-8.87,;-5.22,-9.64,;-2.55,-9.64,;.11,-3.48,;.11,-5.02,;1.45,-2.71,;2.78,-3.48,;2.78,-5.02,;4.12,-5.79,;5.35,-4.86,;6.62,-5.74,;6.17,-7.21,;6.96,-8.52,;6.23,-9.86,;4.68,-9.9,;3.89,-8.58,;4.63,-7.24,;4.12,-2.7,;5.46,-3.47,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-40(59)55(26-30-13-5-2-6-14-30)28-39(58)51-35(23-29-11-3-1-4-12-29)42(61)52-34(17-10-20-49-44(46)47)41(60)53-36(43(54)62)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H4,46,47,49)/t34-,35+,36-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310317 (2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:16.16,38.40,wD:49.51,(33.33,.48,;32,-.29,;32,-1.83,;30.67,.48,;29.34,-.3,;28,.47,;28,2.01,;26.62,4.37,;25.28,5.13,;25.27,6.67,;23.95,4.35,;22.61,5.12,;21.28,4.34,;21.29,2.8,;22.63,2.04,;19.97,2.02,;19.98,.48,;18.64,1.25,;18.63,2.79,;19.96,3.56,;19.95,5.1,;18.61,5.87,;17.28,5.08,;17.29,3.54,;18.65,-.3,;17.31,.46,;18.66,-1.84,;17.33,-2.61,;15.99,-1.85,;15.99,-.31,;14.66,.46,;13.33,-.32,;13.33,-1.87,;14.67,-2.63,;20,-2.62,;21.34,-1.85,;21.34,-.31,;22.67,-2.62,;24.01,-1.85,;24.01,-3.39,;22.67,-4.16,;22.67,-5.7,;21.34,-6.47,;21.34,-8.01,;20.01,-8.78,;22.67,-8.78,;25.34,-2.62,;25.34,-4.16,;26.67,-1.85,;28,-2.62,;28,-4.16,;29.34,-4.93,;30.57,-4,;31.84,-4.87,;31.39,-6.35,;32.19,-7.66,;31.45,-9,;29.91,-9.03,;29.11,-7.72,;29.86,-6.37,;29.34,-1.84,;30.68,-2.6,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-39(58)52-35(23-29-11-3-1-4-12-29)43(62)55(26-30-13-5-2-6-14-30)28-40(59)51-34(17-10-20-49-44(46)47)41(60)53-36(42(54)61)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,59)(H,52,58)(H,53,60)(H4,46,47,49)/t34-,35-,36-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310318 (2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:27.28,38.40,wD:49.51,(8.11,-.38,;6.78,-1.16,;6.78,-2.7,;5.44,-.39,;4.12,-1.16,;2.78,-.4,;2.77,1.14,;1.39,3.51,;.06,4.27,;.05,5.81,;-1.27,3.49,;-2.61,4.25,;-3.94,3.47,;-3.93,1.93,;-2.59,1.17,;-5.26,1.15,;-6.6,1.92,;-6.61,3.46,;-5.27,4.23,;-5.28,5.77,;-6.62,6.53,;-7.96,5.74,;-7.94,4.21,;-5.25,-.39,;-6.58,-1.16,;-7.91,-.4,;-6.56,-2.7,;-5.22,-3.48,;-5.24,-5.02,;-6.58,-5.77,;-7.9,-4.98,;-9.24,-5.73,;-9.26,-7.27,;-7.93,-8.06,;-6.59,-7.3,;-3.89,-2.71,;-3.89,-1.17,;-2.55,-3.48,;-1.21,-2.71,;-1.21,-4.25,;-2.55,-5.02,;-2.55,-6.56,;-3.88,-7.33,;-3.88,-8.87,;-5.22,-9.64,;-2.55,-9.64,;.11,-3.48,;.11,-5.02,;1.45,-2.71,;2.78,-3.48,;2.78,-5.02,;4.12,-5.79,;5.35,-4.86,;6.62,-5.74,;6.17,-7.21,;6.96,-8.52,;6.23,-9.86,;4.68,-9.9,;3.89,-8.58,;4.63,-7.24,;4.12,-2.7,;5.46,-3.47,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-40(59)55(26-30-13-5-2-6-14-30)28-39(58)51-35(23-29-11-3-1-4-12-29)42(61)52-34(17-10-20-49-44(46)47)41(60)53-36(43(54)62)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H4,46,47,49)/t34-,35+,36-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310316 (2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...) Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:38.40,wD:49.51,(10.15,-18.94,;8.82,-19.71,;8.82,-21.25,;7.48,-18.95,;6.15,-19.72,;4.82,-18.95,;4.81,-17.41,;3.43,-15.05,;2.09,-14.29,;2.08,-12.75,;.77,-15.07,;-.57,-14.31,;-1.9,-15.08,;-1.89,-16.62,;-.55,-17.39,;-3.22,-17.4,;-4.56,-16.64,;-4.57,-15.1,;-3.23,-14.33,;-3.24,-12.79,;-4.58,-12.03,;-5.92,-12.82,;-5.9,-14.35,;-3.21,-18.94,;-4.54,-19.72,;-5.88,-18.96,;-4.53,-21.26,;-5.86,-22.04,;-7.19,-21.27,;-7.19,-19.73,;-8.53,-18.97,;-9.86,-19.74,;-9.85,-21.29,;-8.52,-22.05,;-3.18,-22.04,;-1.85,-21.27,;-1.85,-19.73,;-.52,-22.04,;.82,-21.27,;.82,-22.81,;-.51,-23.58,;-.51,-25.12,;-1.84,-25.89,;-1.84,-27.43,;-3.18,-28.2,;-.51,-28.2,;2.15,-22.04,;2.15,-23.58,;3.49,-21.27,;4.82,-22.04,;4.82,-23.58,;6.16,-24.35,;7.39,-23.42,;8.65,-24.3,;8.21,-25.77,;9,-27.08,;8.26,-28.42,;6.72,-28.46,;5.93,-27.14,;6.67,-25.8,;6.16,-21.26,;7.5,-22.02,)| Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-53-22-21-48-38(57)18-9-19-40(59)55(26-31-13-5-2-6-14-31)29-41(60)54(25-30-11-3-1-4-12-30)28-39(58)51-35(17-10-20-49-44(46)47)42(61)52-36(43(53)62)23-32-24-50-34-16-8-7-15-33(32)34/h1-8,11-16,24,35-36,50H,9-10,17-23,25-29H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H4,46,47,49)/t35-,36-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310325 (2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:28.29,39.41,wD:50.52,(33.21,-20.02,;31.88,-20.79,;31.88,-22.33,;30.54,-20.03,;29.22,-20.8,;27.88,-20.04,;27.87,-18.5,;26.54,-17.73,;26.49,-16.13,;27.82,-15.35,;25.16,-15.37,;23.83,-16.15,;22.49,-15.39,;21.16,-16.17,;21.17,-17.71,;22.51,-18.47,;19.84,-18.48,;18.5,-17.72,;18.49,-16.18,;19.83,-15.41,;19.82,-13.87,;18.48,-13.11,;17.14,-13.9,;17.16,-15.43,;19.85,-20.02,;18.52,-20.8,;17.18,-20.04,;18.53,-22.34,;19.88,-23.12,;19.86,-24.66,;18.52,-25.41,;17.2,-24.62,;15.86,-25.37,;15.84,-26.91,;17.17,-27.7,;18.51,-26.94,;21.21,-22.35,;21.21,-20.81,;22.55,-23.12,;23.88,-22.35,;23.88,-23.89,;22.55,-24.66,;22.55,-26.2,;21.22,-26.97,;21.22,-28.51,;19.88,-29.28,;22.55,-29.28,;25.21,-23.12,;25.21,-24.66,;26.55,-22.35,;27.88,-23.12,;27.88,-24.66,;29.22,-25.43,;30.45,-24.5,;31.71,-25.38,;31.27,-26.85,;32.06,-28.16,;31.32,-29.5,;29.78,-29.54,;28.99,-28.22,;29.73,-26.88,;29.22,-22.34,;30.56,-23.11,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-41(60)56(27-31-14-5-2-6-15-31)29-40(59)52-36(24-30-12-3-1-4-13-30)43(62)53-35(18-11-21-50-45(47)48)42(61)54-37(44(55)63)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H,54,61)(H4,47,48,50)/t35-,36+,37-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310315 (2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-40(59)53-36(24-30-12-3-1-4-13-30)44(63)56(27-31-14-5-2-6-15-31)29-41(60)52-35(18-11-21-50-45(47)48)42(61)54-37(43(55)62)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,60)(H,53,59)(H,54,61)(H4,47,48,50)/t35-,36-,37-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310314 (2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...) Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:39.41,wD:50.52,(34.73,-38.76,;33.39,-39.53,;33.4,-41.07,;32.06,-38.76,;30.73,-39.54,;29.4,-38.77,;29.36,-37.17,;28.02,-36.41,;28.01,-34.87,;29.34,-34.09,;26.67,-34.1,;25.34,-34.88,;24,-34.12,;22.68,-34.9,;22.69,-36.44,;24.03,-37.2,;21.36,-37.22,;20.02,-36.46,;20.01,-34.92,;21.34,-34.15,;21.33,-32.61,;19.99,-31.85,;18.66,-32.63,;18.68,-34.17,;21.37,-38.76,;20.04,-39.54,;18.7,-38.78,;20.05,-41.08,;18.72,-41.85,;17.38,-41.09,;17.39,-39.55,;16.05,-38.78,;14.72,-39.56,;14.73,-41.1,;16.06,-41.86,;21.39,-41.86,;22.73,-41.09,;22.73,-39.55,;24.06,-41.86,;25.4,-41.09,;25.4,-42.63,;24.07,-43.4,;24.07,-44.94,;22.73,-45.71,;22.73,-47.25,;21.4,-48.02,;24.07,-48.02,;26.73,-41.86,;26.73,-43.4,;28.06,-41.09,;29.4,-41.86,;29.4,-43.4,;30.73,-44.17,;31.97,-43.23,;33.23,-44.11,;32.79,-45.59,;33.58,-46.9,;32.84,-48.24,;31.3,-48.27,;30.51,-46.96,;31.25,-45.61,;30.74,-41.08,;32.07,-41.84,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-54-23-22-49-39(58)19-9-10-20-41(60)56(27-32-14-5-2-6-15-32)30-42(61)55(26-31-12-3-1-4-13-31)29-40(59)52-36(18-11-21-50-45(47)48)43(62)53-37(44(54)63)24-33-25-51-35-17-8-7-16-34(33)35/h1-8,12-17,25,36-37,51H,9-11,18-24,26-30H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H4,47,48,50)/t36-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50310315 (2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...) Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-40(59)53-36(24-30-12-3-1-4-13-30)44(63)56(27-31-14-5-2-6-15-31)29-41(60)52-35(18-11-21-50-45(47)48)42(61)54-37(43(55)62)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,60)(H,53,59)(H,54,61)(H4,47,48,50)/t35-,36-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50310314 (2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzy...) Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:39.41,wD:50.52,(34.73,-38.76,;33.39,-39.53,;33.4,-41.07,;32.06,-38.76,;30.73,-39.54,;29.4,-38.77,;29.36,-37.17,;28.02,-36.41,;28.01,-34.87,;29.34,-34.09,;26.67,-34.1,;25.34,-34.88,;24,-34.12,;22.68,-34.9,;22.69,-36.44,;24.03,-37.2,;21.36,-37.22,;20.02,-36.46,;20.01,-34.92,;21.34,-34.15,;21.33,-32.61,;19.99,-31.85,;18.66,-32.63,;18.68,-34.17,;21.37,-38.76,;20.04,-39.54,;18.7,-38.78,;20.05,-41.08,;18.72,-41.85,;17.38,-41.09,;17.39,-39.55,;16.05,-38.78,;14.72,-39.56,;14.73,-41.1,;16.06,-41.86,;21.39,-41.86,;22.73,-41.09,;22.73,-39.55,;24.06,-41.86,;25.4,-41.09,;25.4,-42.63,;24.07,-43.4,;24.07,-44.94,;22.73,-45.71,;22.73,-47.25,;21.4,-48.02,;24.07,-48.02,;26.73,-41.86,;26.73,-43.4,;28.06,-41.09,;29.4,-41.86,;29.4,-43.4,;30.73,-44.17,;31.97,-43.23,;33.23,-44.11,;32.79,-45.59,;33.58,-46.9,;32.84,-48.24,;31.3,-48.27,;30.51,-46.96,;31.25,-45.61,;30.74,-41.08,;32.07,-41.84,)| Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-54-23-22-49-39(58)19-9-10-20-41(60)56(27-32-14-5-2-6-15-32)30-42(61)55(26-31-12-3-1-4-13-31)29-40(59)52-36(18-11-21-50-45(47)48)43(62)53-37(44(54)63)24-33-25-51-35-17-8-7-16-34(33)35/h1-8,12-17,25,36-37,51H,9-11,18-24,26-30H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H4,47,48,50)/t36-,37-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	990	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay				Bioorg Med Chem 18: 580-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.010 BindingDB Entry DOI: 10.7270/Q20Z73C3
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50339349 ((S)-2-acetamido-N-((R)-1-((6S,9S)-4-((S)-1-amino-3...) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N(C[C@H](CCCN=C(N)N)NC1=O)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:44.46,25.26,14.14,wD:33.35,4.3,(25.64,-3.74,;25.64,-5.28,;26.98,-6.06,;24.31,-6.06,;24.31,-7.6,;22.97,-8.37,;21.64,-7.6,;20.23,-8.23,;19.2,-7.09,;19.96,-5.75,;21.47,-6.07,;25.65,-8.36,;26.98,-7.6,;25.65,-9.91,;26.98,-10.68,;26.99,-12.22,;25.65,-12.99,;24.32,-12.22,;22.99,-12.99,;22.99,-14.53,;24.33,-15.3,;25.66,-14.52,;28.32,-9.9,;28.32,-8.36,;29.65,-10.67,;30.98,-9.9,;32.31,-10.67,;33.64,-9.9,;34.96,-10.67,;36.3,-9.91,;37.63,-10.69,;36.31,-8.37,;34.97,-7.59,;33.64,-8.36,;33.63,-6.82,;32.29,-6.06,;32.27,-4.52,;30.93,-3.76,;30.92,-2.22,;29.59,-1.46,;32.25,-1.44,;32.31,-7.58,;30.98,-8.36,;29.65,-7.59,;37.65,-7.61,;37.65,-6.07,;38.99,-5.3,;40.4,-5.93,;41.43,-4.79,;40.67,-3.46,;41.15,-2,;40.13,-.85,;38.61,-1.17,;38.14,-2.62,;39.16,-3.76,;38.98,-8.38,;40.32,-7.62,;38.97,-9.92,)| Show InChI InChI=1S/C39H50N12O6S/c1-23(52)47-31(16-27-18-43-22-46-27)37(56)49-30(14-24-8-3-2-4-9-24)36(55)50-32-20-58-21-34(53)51(19-26(48-38(32)57)10-7-13-44-39(41)42)33(35(40)54)15-25-17-45-29-12-6-5-11-28(25)29/h2-6,8-9,11-12,17-18,22,26,30-33,45H,7,10,13-16,19-21H2,1H3,(H2,40,54)(H,43,46)(H,47,52)(H,48,57)(H,49,56)(H,50,55)(H4,41,42,44)/t26-,30+,31-,32+,33-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	164	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50339345 ((S)-cis-(2S,5S,8S,11S,14S,17S,22R,25S,28S,31R)-25-...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)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 |r,wU:5.5,72.93,48.50,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,57.61,105.113,(15.4,-29.67,;14.08,-30.48,;14.12,-32.01,;15.48,-32.75,;16.79,-31.94,;15.52,-34.28,;14.2,-35.09,;12.85,-34.35,;12.81,-32.82,;11.54,-35.16,;16.87,-35.03,;16.9,-36.56,;15.59,-37.37,;18.25,-37.3,;19.57,-36.49,;19.53,-34.96,;18.26,-34.08,;18.7,-32.61,;20.24,-32.56,;21.24,-31.39,;22.76,-31.67,;23.27,-33.13,;22.27,-34.3,;20.76,-34.02,;18.3,-38.83,;19.65,-39.57,;20.96,-38.77,;19.7,-41.13,;21.04,-41.89,;21.05,-43.43,;22.39,-44.19,;22.4,-45.73,;23.73,-46.49,;25.06,-45.71,;23.74,-48.02,;18.4,-41.95,;17.03,-41.23,;15.73,-42.05,;15.65,-40.51,;14.31,-39.73,;14.34,-38.18,;13.01,-37.4,;11.66,-38.16,;11.65,-39.71,;12.98,-40.49,;14.36,-41.34,;13.06,-42.17,;11.69,-41.46,;13.13,-43.72,;14.5,-44.42,;15.79,-43.6,;17.15,-44.31,;18.46,-43.49,;19.83,-44.22,;11.84,-44.55,;10.46,-43.83,;10.39,-42.29,;9.16,-44.67,;9.23,-46.22,;7.92,-47.05,;7.84,-48.58,;6.35,-48.98,;5.53,-47.68,;6.5,-46.49,;7.78,-43.96,;7.71,-42.41,;9.01,-41.58,;6.32,-41.69,;6.33,-40.15,;5.01,-39.36,;7.43,-32.91,;8.75,-32.11,;8.71,-30.58,;10.04,-29.79,;10.02,-28.24,;8.67,-27.51,;11.34,-27.46,;11.3,-25.92,;12.62,-25.12,;13.97,-25.86,;15.29,-25.07,;15.24,-23.52,;13.9,-22.78,;12.58,-23.58,;12.69,-28.2,;12.72,-29.73,;11.37,-30.47,;7.41,-29.78,;6.06,-30.53,;7.44,-28.24,;6.13,-27.44,;4.78,-28.18,;3.46,-27.38,;3.5,-25.84,;2.19,-25.05,;.84,-25.78,;-.48,-24.99,;.81,-27.33,;2.12,-28.12,;6.16,-25.9,;4.85,-25.1,;7.51,-25.16,;5,-42.48,;3.65,-41.73,;3.63,-40.19,;2.33,-42.52,;.99,-41.77,;2.35,-44.06,;1.03,-44.84,;-.31,-44.09,;-1.63,-44.88,;-1.61,-46.42,;-2.93,-47.2,;-.26,-47.17,;1.06,-46.38,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,53-,55-,56-,57-,58-,59-,60+,61-,62-,63-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50339348 ((4R,7S,10S,13S,16S,19S,22R,25S,28R)-25-((1H-imidaz...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](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 |r,wU:27.29,13.13,1.0,68.72,49.52,wD:38.40,5.5,64.84,59.100,82.87,97.104,(5.98,2.25,;4.65,1.48,;3.32,2.25,;3.32,3.79,;4.65,4.56,;1.99,4.56,;.65,3.79,;.65,2.25,;1.99,1.48,;-.69,1.48,;1.99,6.1,;.65,6.86,;-.69,6.1,;.65,8.41,;1.99,9.18,;3.32,8.41,;3.48,6.87,;4.98,6.56,;5.75,7.89,;7.26,8.21,;7.73,9.67,;6.71,10.82,;5.2,10.49,;4.72,9.03,;-.69,9.18,;-2.02,8.41,;-2.02,6.86,;-3.35,9.18,;-3.35,10.71,;-4.68,11.49,;-6.01,10.71,;-7.34,11.49,;-7.34,13.03,;-6.01,13.79,;-8.68,13.79,;-4.68,8.41,;-4.68,6.86,;-3.35,6.1,;-6.01,6.1,;-7.34,6.86,;-8.68,6.1,;-10.02,6.86,;-11.35,6.1,;-11.35,4.56,;-10.02,3.79,;-8.68,4.56,;-6.01,4.56,;-4.68,3.79,;-3.35,4.56,;-4.68,2.25,;-6.02,1.49,;-7.35,2.27,;-8.77,1.66,;-9.79,2.81,;-9,4.14,;-7.5,3.8,;-3.35,1.47,;-3.36,-.07,;-2.03,-.85,;-4.7,-.84,;-4.71,-2.38,;-3.38,-3.16,;-.71,-3.02,;.64,-2.26,;1.97,-3.03,;3.32,-2.31,;4.63,-3.11,;4.6,-4.65,;5.98,-2.37,;7.3,-3.16,;8.64,-2.42,;9.97,-3.22,;11.31,-2.47,;11.35,-.94,;10.03,-.14,;8.68,-.88,;5.98,-.83,;4.65,-.06,;3.32,-.83,;1.96,-4.55,;.61,-5.3,;3.27,-5.35,;3.24,-6.89,;1.89,-7.63,;1.86,-9.17,;.51,-9.91,;.47,-11.45,;1.79,-12.25,;1.76,-13.79,;3.15,-11.5,;3.17,-9.96,;4.56,-7.69,;5.91,-6.95,;4.53,-9.23,;-6.03,-.06,;-7.37,-.83,;-8.7,-.04,;-7.38,-2.37,;-8.72,-3.13,;-6.05,-3.14,;-6.05,-4.69,;-7.39,-5.45,;-7.4,-6.99,;-6.07,-7.77,;-6.08,-9.31,;-4.73,-7,;-4.72,-5.46,)| Show InChI InChI=1S/C72H87N19O14S2/c1-39-62(96)85-53(29-40-11-4-2-5-12-40)67(101)91-59(70(104)84-52(61(75)95)28-43-20-24-47(93)25-21-43)37-107-106-36-58(90-63(97)49(73)27-42-18-22-46(92)23-19-42)71(105)88-56(32-45-35-78-38-81-45)69(103)86-54(30-41-13-6-3-7-14-41)66(100)83-51(17-10-26-79-72(76)77)64(98)87-55(31-44-34-80-50-16-9-8-15-48(44)50)68(102)89-57(33-60(74)94)65(99)82-39/h2-9,11-16,18-25,34-35,38-39,49,51-59,80,92-93H,10,17,26-33,36-37,73H2,1H3,(H2,74,94)(H2,75,95)(H,78,81)(H,82,99)(H,83,100)(H,84,104)(H,85,96)(H,86,103)(H,87,98)(H,88,105)(H,89,102)(H,90,97)(H,91,101)(H4,76,77,79)/t39-,49-,51-,52-,53-,54+,55-,56-,57-,58-,59-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.350	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50339350 ((R)-trans-(2R,5S,8S,11S,14S,17S,20R,25R,28R,31S)-3...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)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 |r,wU:27.29,13.13,1.0,76.81,90.96,wD:5.5,58.61,67.109,48.51,38.40,72.93,105.113,(14.42,-13.56,;13.1,-12.77,;13.11,-11.22,;14.46,-10.47,;15.78,-11.26,;14.48,-8.94,;13.15,-8.14,;11.8,-8.9,;11.79,-10.44,;10.48,-8.11,;15.82,-8.18,;15.84,-6.63,;14.52,-5.85,;17.18,-5.88,;18.51,-6.67,;18.49,-8.21,;17.24,-9.1,;17.69,-10.58,;19.23,-10.6,;20.25,-11.75,;21.77,-11.46,;22.27,-9.99,;21.25,-8.83,;19.73,-9.13,;17.21,-4.34,;18.55,-3.58,;19.87,-4.38,;18.57,-2.05,;19.9,-1.26,;19.88,.28,;21.22,1.06,;21.2,2.6,;22.53,3.39,;23.87,2.62,;22.52,4.93,;17.24,-1.28,;15.89,-2.04,;15.88,-3.59,;14.56,-1.27,;14.57,.28,;15.9,1.03,;17.22,.26,;18.56,1.01,;18.56,2.55,;17.23,3.33,;15.9,2.56,;13.21,-2.03,;11.88,-1.25,;10.54,-2.02,;10.53,-.48,;11.79,.41,;13.24,-.08,;14.16,1.15,;13.27,2.41,;11.8,1.95,;9.21,-1.24,;7.87,-2.02,;6.54,-1.26,;7.87,-3.56,;9.21,-4.33,;10.53,-3.56,;11.86,-4.34,;13.2,-3.57,;14.54,-4.36,;6.54,-4.34,;5.21,-3.58,;5.2,-2.04,;3.87,-4.36,;3.88,-5.9,;5.22,-6.65,;6.27,-10.52,;7.59,-11.31,;7.57,-12.85,;8.94,-13.57,;8.99,-15.11,;7.69,-15.93,;10.37,-15.82,;10.32,-17.37,;11.63,-18.17,;12.99,-17.43,;14.3,-18.24,;14.26,-19.79,;12.91,-20.52,;11.59,-19.71,;11.72,-15.07,;11.75,-13.52,;10.42,-12.73,;6.25,-13.63,;6.27,-15.17,;4.9,-12.88,;3.58,-13.66,;3.6,-15.2,;2.27,-15.98,;.94,-15.22,;-.39,-16,;-.37,-17.54,;-1.69,-18.33,;.98,-18.3,;2.3,-17.51,;2.24,-12.91,;.92,-13.69,;2.22,-11.37,;2.54,-3.59,;1.21,-4.37,;1.22,-5.91,;-.12,-3.61,;-.13,-2.07,;-1.46,-4.39,;-2.79,-3.62,;-2.79,-2.08,;-4.12,-1.32,;-5.45,-2.1,;-6.79,-1.33,;-5.44,-3.64,;-4.1,-4.39,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,53-,55-,56-,57-,58-,59-,60-,61-,62-,63+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					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	0.0180	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50339343 ((S)-cis-(2R,5S,8S,11S,14S,17S,20R,25R,28S,31S)-31-...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)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 |r,wU:27.29,13.13,1.0,76.81,58.61,90.96,wD:5.5,67.109,48.51,38.40,72.93,105.113,(16.35,-42.78,;15.03,-41.99,;15.05,-40.44,;16.39,-39.69,;17.71,-40.47,;16.41,-38.16,;15.08,-37.36,;13.74,-38.12,;13.72,-39.66,;12.42,-37.32,;17.75,-37.4,;17.77,-35.85,;16.45,-35.07,;19.12,-35.1,;20.44,-35.89,;20.43,-37.42,;19.17,-38.32,;19.63,-39.8,;21.17,-39.82,;22.19,-40.97,;23.71,-40.67,;24.21,-39.21,;23.19,-38.05,;21.67,-38.35,;19.15,-33.56,;20.48,-32.8,;21.81,-33.59,;20.51,-31.26,;21.83,-30.48,;21.82,-28.93,;23.15,-28.16,;23.14,-26.62,;24.46,-25.83,;25.81,-26.59,;24.46,-24.29,;19.17,-30.49,;17.82,-31.26,;17.82,-32.8,;16.49,-30.49,;16.5,-28.94,;17.83,-28.18,;19.16,-28.96,;20.49,-28.2,;20.5,-26.66,;19.17,-25.88,;17.83,-26.65,;15.14,-31.25,;13.81,-30.47,;12.47,-31.23,;12.46,-29.69,;13.72,-28.81,;15.17,-29.3,;16.09,-28.06,;15.21,-26.81,;13.74,-27.26,;11.14,-30.46,;9.81,-31.23,;8.47,-30.47,;9.81,-32.78,;11.14,-33.55,;12.46,-32.78,;13.8,-33.56,;15.14,-32.79,;16.48,-33.58,;8.47,-33.56,;7.14,-32.8,;7.13,-31.26,;5.81,-33.58,;5.82,-35.11,;7.16,-35.87,;8.21,-39.74,;9.53,-40.52,;9.5,-42.06,;10.87,-42.79,;10.92,-44.33,;9.62,-45.15,;12.3,-45.03,;12.25,-46.58,;13.57,-47.38,;14.93,-46.65,;16.24,-47.46,;16.2,-49,;14.84,-49.74,;13.52,-48.93,;13.66,-44.28,;13.68,-42.74,;12.36,-41.95,;8.18,-42.85,;8.2,-44.39,;6.84,-42.09,;5.52,-42.88,;5.54,-44.42,;4.21,-45.2,;2.88,-44.44,;1.55,-45.22,;1.57,-46.76,;.25,-47.55,;2.92,-47.52,;4.23,-46.73,;4.17,-42.12,;2.85,-42.91,;4.16,-40.59,;4.48,-32.81,;3.14,-33.59,;3.15,-35.13,;1.81,-32.82,;1.8,-31.29,;.48,-33.6,;-.85,-32.84,;-.85,-31.3,;-2.18,-30.54,;-3.52,-31.32,;-4.85,-30.55,;-3.5,-32.86,;-2.17,-33.61,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,53-,55-,56-,57-,58-,59-,60+,61-,62-,63+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					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	0.0300	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50339346 ((R)-trans-(2S,5S,8S,11S,14R,19R,22S,25R,28R,31S)-2...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)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 |r,wU:1.0,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,37.38,26.28,90.96,105.113,(13.98,-2.99,;15.3,-2.22,;16.62,-2.98,;16.62,-4.5,;15.31,-5.27,;17.94,-5.26,;19.26,-4.5,;19.26,-2.98,;17.94,-2.21,;20.58,-2.21,;17.95,-6.79,;19.28,-7.53,;20.59,-6.77,;19.29,-9.07,;20.8,-9.31,;21.35,-10.73,;20.53,-12.02,;21.5,-13.2,;22.92,-12.64,;24.28,-13.33,;25.55,-12.49,;25.46,-10.96,;24.1,-10.28,;22.83,-11.11,;17.97,-9.85,;16.62,-9.13,;15.33,-9.95,;15.25,-8.42,;13.88,-7.66,;13.87,-6.09,;12.5,-5.32,;11.16,-6.12,;9.8,-5.35,;11.18,-7.69,;13.98,-9.24,;12.69,-10.07,;11.34,-9.36,;12.76,-11.6,;14.11,-12.3,;15.4,-11.48,;16.73,-12.19,;18.03,-11.38,;19.41,-12.11,;11.48,-12.43,;10.09,-11.71,;10,-10.15,;8.76,-12.55,;8.73,-14.12,;10.1,-14.87,;10.12,-16.44,;11.48,-17.2,;12.82,-16.4,;12.8,-14.82,;11.43,-14.07,;7.37,-11.81,;6.07,-12.7,;6.12,-14.27,;4.75,-11.9,;3.5,-12.79,;3.49,-14.32,;2.24,-15.19,;2.7,-16.65,;4.22,-16.66,;4.71,-15.22,;4.77,-10.37,;3.46,-9.57,;2.12,-10.31,;3.49,-8.03,;4.87,-7.3,;4.93,-5.73,;12.79,-2.24,;12.76,-.68,;11.39,.08,;11.36,1.61,;12.67,2.4,;12.67,3.96,;13.97,1.6,;15.27,2.4,;15.24,3.92,;13.9,4.65,;13.86,6.17,;15.17,6.96,;16.5,6.24,;16.54,4.71,;13.98,.06,;15.3,-.68,;16.57,.14,;10.04,-.73,;10.07,-2.3,;8.68,.03,;7.33,-.78,;5.96,-.03,;5.93,1.55,;7.28,2.35,;7.25,3.91,;5.88,4.67,;5.85,6.23,;4.53,3.86,;4.57,2.29,;7.36,-2.35,;8.73,-3.1,;6.02,-3.15,;2.16,-7.2,;2.2,-5.64,;3.58,-4.89,;.88,-4.82,;.92,-3.26,;-.51,-5.56,;-1.84,-4.73,;-1.78,-3.17,;-3.11,-2.35,;-4.49,-3.09,;-5.83,-2.27,;-4.54,-4.67,;-3.2,-5.48,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(29-43-11-4-2-5-12-43)70(106)96-62(74(110)89-55(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)92-58(32-49-35-83-41-86-49)72(108)91-57(30-44-13-6-3-7-14-44)71(107)95-60-37-113-40-65(101)97(36-48(88-73(60)109)15-10-26-84-77(81)82)63(31-47-34-85-54-17-9-8-16-52(47)54)76(112)93-59(33-64(79)100)69(105)87-42/h2-9,11-14,16-25,34-35,41-42,48,53,55-63,85,98-99H,10,15,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,108)(H,92,111)(H,93,112)(H,94,104)(H,95,107)(H,96,106)(H4,81,82,84)/t42-,48-,53-,55-,56-,57+,58-,59-,60-,61-,62-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50339347 ((S)-cis-(2S,5S,8S,11S,14R,19R,22S,25R,28S,31S)-22-...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)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 |r,wU:1.0,37.38,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,26.28,90.96,105.113,(15.52,-30.42,;16.84,-29.65,;18.15,-30.42,;18.16,-31.93,;16.84,-32.7,;19.48,-32.7,;20.79,-31.94,;20.79,-30.41,;19.47,-29.65,;22.11,-29.64,;19.49,-34.23,;20.81,-34.97,;22.13,-34.2,;20.82,-36.51,;22.33,-36.74,;22.88,-38.16,;22.06,-39.45,;23.03,-40.63,;24.45,-40.08,;25.81,-40.76,;27.09,-39.93,;26.99,-38.4,;25.64,-37.72,;24.36,-38.55,;19.51,-37.28,;18.15,-36.56,;16.86,-37.39,;16.79,-35.85,;15.42,-35.09,;15.4,-33.53,;14.04,-32.76,;12.69,-33.55,;11.33,-32.79,;12.71,-35.12,;15.51,-36.68,;14.22,-37.5,;12.87,-36.8,;14.3,-39.04,;15.65,-39.74,;16.93,-38.91,;18.27,-39.62,;19.57,-38.81,;20.95,-39.55,;13.01,-39.86,;11.62,-39.15,;11.54,-37.59,;10.29,-39.98,;10.26,-41.55,;11.63,-42.31,;11.65,-43.87,;13.01,-44.64,;14.35,-43.84,;14.33,-42.26,;12.96,-41.51,;8.9,-39.25,;7.6,-40.13,;7.65,-41.7,;6.28,-39.33,;5.04,-40.22,;5.02,-41.75,;3.78,-42.63,;4.23,-44.09,;5.75,-44.1,;6.24,-42.65,;6.3,-37.8,;4.99,-37.01,;3.65,-37.75,;5.02,-35.46,;6.41,-34.73,;6.47,-33.17,;14.32,-29.68,;14.29,-28.11,;12.92,-27.35,;12.89,-25.82,;14.2,-25.03,;14.21,-23.47,;15.5,-25.84,;16.81,-25.04,;16.77,-23.52,;15.43,-22.79,;15.39,-21.27,;16.7,-20.47,;18.04,-21.2,;18.07,-22.72,;15.51,-27.37,;16.83,-28.11,;18.11,-27.29,;11.58,-28.17,;11.61,-29.73,;10.21,-27.41,;8.86,-28.21,;7.5,-27.46,;7.46,-25.89,;8.81,-25.09,;8.78,-23.52,;7.41,-22.76,;7.38,-21.2,;6.06,-23.58,;6.1,-25.14,;8.89,-29.78,;10.26,-30.53,;7.56,-30.59,;3.69,-34.64,;3.74,-33.07,;5.11,-32.33,;2.41,-32.25,;2.45,-30.69,;1.02,-33,;-.31,-32.17,;-.25,-30.61,;-1.58,-29.79,;-2.96,-30.52,;-4.3,-29.71,;-3,-32.1,;-1.67,-32.92,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(29-43-11-4-2-5-12-43)70(106)96-62(74(110)89-55(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)92-58(32-49-35-83-41-86-49)72(108)91-57(30-44-13-6-3-7-14-44)71(107)95-60-37-113-40-65(101)97(36-48(88-73(60)109)15-10-26-84-77(81)82)63(31-47-34-85-54-17-9-8-16-52(47)54)76(112)93-59(33-64(79)100)69(105)87-42/h2-9,11-14,16-25,34-35,41-42,48,53,55-63,85,98-99H,10,15,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,108)(H,92,111)(H,93,112)(H,94,104)(H,95,107)(H,96,106)(H4,81,82,84)/t42-,48-,53-,55-,56-,57+,58-,59-,60+,61-,62-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50339348 ((4R,7S,10S,13S,16S,19S,22R,25S,28R)-25-((1H-imidaz...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](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 |r,wU:27.29,13.13,1.0,68.72,49.52,wD:38.40,5.5,64.84,59.100,82.87,97.104,(5.98,2.25,;4.65,1.48,;3.32,2.25,;3.32,3.79,;4.65,4.56,;1.99,4.56,;.65,3.79,;.65,2.25,;1.99,1.48,;-.69,1.48,;1.99,6.1,;.65,6.86,;-.69,6.1,;.65,8.41,;1.99,9.18,;3.32,8.41,;3.48,6.87,;4.98,6.56,;5.75,7.89,;7.26,8.21,;7.73,9.67,;6.71,10.82,;5.2,10.49,;4.72,9.03,;-.69,9.18,;-2.02,8.41,;-2.02,6.86,;-3.35,9.18,;-3.35,10.71,;-4.68,11.49,;-6.01,10.71,;-7.34,11.49,;-7.34,13.03,;-6.01,13.79,;-8.68,13.79,;-4.68,8.41,;-4.68,6.86,;-3.35,6.1,;-6.01,6.1,;-7.34,6.86,;-8.68,6.1,;-10.02,6.86,;-11.35,6.1,;-11.35,4.56,;-10.02,3.79,;-8.68,4.56,;-6.01,4.56,;-4.68,3.79,;-3.35,4.56,;-4.68,2.25,;-6.02,1.49,;-7.35,2.27,;-8.77,1.66,;-9.79,2.81,;-9,4.14,;-7.5,3.8,;-3.35,1.47,;-3.36,-.07,;-2.03,-.85,;-4.7,-.84,;-4.71,-2.38,;-3.38,-3.16,;-.71,-3.02,;.64,-2.26,;1.97,-3.03,;3.32,-2.31,;4.63,-3.11,;4.6,-4.65,;5.98,-2.37,;7.3,-3.16,;8.64,-2.42,;9.97,-3.22,;11.31,-2.47,;11.35,-.94,;10.03,-.14,;8.68,-.88,;5.98,-.83,;4.65,-.06,;3.32,-.83,;1.96,-4.55,;.61,-5.3,;3.27,-5.35,;3.24,-6.89,;1.89,-7.63,;1.86,-9.17,;.51,-9.91,;.47,-11.45,;1.79,-12.25,;1.76,-13.79,;3.15,-11.5,;3.17,-9.96,;4.56,-7.69,;5.91,-6.95,;4.53,-9.23,;-6.03,-.06,;-7.37,-.83,;-8.7,-.04,;-7.38,-2.37,;-8.72,-3.13,;-6.05,-3.14,;-6.05,-4.69,;-7.39,-5.45,;-7.4,-6.99,;-6.07,-7.77,;-6.08,-9.31,;-4.73,-7,;-4.72,-5.46,)| Show InChI InChI=1S/C72H87N19O14S2/c1-39-62(96)85-53(29-40-11-4-2-5-12-40)67(101)91-59(70(104)84-52(61(75)95)28-43-20-24-47(93)25-21-43)37-107-106-36-58(90-63(97)49(73)27-42-18-22-46(92)23-19-42)71(105)88-56(32-45-35-78-38-81-45)69(103)86-54(30-41-13-6-3-7-14-41)66(100)83-51(17-10-26-79-72(76)77)64(98)87-55(31-44-34-80-50-16-9-8-15-48(44)50)68(102)89-57(33-60(74)94)65(99)82-39/h2-9,11-16,18-25,34-35,38-39,49,51-59,80,92-93H,10,17,26-33,36-37,73H2,1H3,(H2,74,94)(H2,75,95)(H,78,81)(H,82,99)(H,83,100)(H,84,104)(H,85,96)(H,86,103)(H,87,98)(H,88,105)(H,89,102)(H,90,97)(H,91,101)(H4,76,77,79)/t39-,49-,51-,52-,53-,54+,55-,56-,57-,58-,59-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.270	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50339349 ((S)-2-acetamido-N-((R)-1-((6S,9S)-4-((S)-1-amino-3...) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N(C[C@H](CCCN=C(N)N)NC1=O)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:44.46,25.26,14.14,wD:33.35,4.3,(25.64,-3.74,;25.64,-5.28,;26.98,-6.06,;24.31,-6.06,;24.31,-7.6,;22.97,-8.37,;21.64,-7.6,;20.23,-8.23,;19.2,-7.09,;19.96,-5.75,;21.47,-6.07,;25.65,-8.36,;26.98,-7.6,;25.65,-9.91,;26.98,-10.68,;26.99,-12.22,;25.65,-12.99,;24.32,-12.22,;22.99,-12.99,;22.99,-14.53,;24.33,-15.3,;25.66,-14.52,;28.32,-9.9,;28.32,-8.36,;29.65,-10.67,;30.98,-9.9,;32.31,-10.67,;33.64,-9.9,;34.96,-10.67,;36.3,-9.91,;37.63,-10.69,;36.31,-8.37,;34.97,-7.59,;33.64,-8.36,;33.63,-6.82,;32.29,-6.06,;32.27,-4.52,;30.93,-3.76,;30.92,-2.22,;29.59,-1.46,;32.25,-1.44,;32.31,-7.58,;30.98,-8.36,;29.65,-7.59,;37.65,-7.61,;37.65,-6.07,;38.99,-5.3,;40.4,-5.93,;41.43,-4.79,;40.67,-3.46,;41.15,-2,;40.13,-.85,;38.61,-1.17,;38.14,-2.62,;39.16,-3.76,;38.98,-8.38,;40.32,-7.62,;38.97,-9.92,)| Show InChI InChI=1S/C39H50N12O6S/c1-23(52)47-31(16-27-18-43-22-46-27)37(56)49-30(14-24-8-3-2-4-9-24)36(55)50-32-20-58-21-34(53)51(19-26(48-38(32)57)10-7-13-44-39(41)42)33(35(40)54)15-25-17-45-29-12-6-5-11-28(25)29/h2-6,8-9,11-12,17-18,22,26,30-33,45H,7,10,13-16,19-21H2,1H3,(H2,40,54)(H,43,46)(H,47,52)(H,48,57)(H,49,56)(H,50,55)(H4,41,42,44)/t26-,30+,31-,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	650	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					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	0.140	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					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	0.200	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50339344 ((R)-trans-(2S,5S,8S,11S,14S,17S,22R,25S,28R,31R)-2...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)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 |r,wU:5.5,72.93,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,48.50,57.61,105.113,(15.46,-1.16,;14.14,-1.97,;14.18,-3.5,;15.53,-4.24,;16.85,-3.43,;15.58,-5.77,;14.26,-6.58,;12.91,-5.84,;12.87,-4.31,;11.6,-6.65,;16.93,-6.52,;16.96,-8.05,;15.65,-8.86,;18.31,-8.79,;19.63,-7.98,;19.59,-6.45,;18.32,-5.57,;18.76,-4.1,;20.3,-4.05,;21.3,-2.88,;22.82,-3.16,;23.33,-4.62,;22.33,-5.79,;20.82,-5.51,;18.36,-10.32,;19.71,-11.06,;21.02,-10.26,;19.75,-12.62,;21.09,-13.38,;21.11,-14.92,;22.45,-15.68,;22.46,-17.22,;23.79,-17.98,;25.12,-17.19,;23.8,-19.51,;18.45,-13.44,;17.09,-12.72,;15.79,-13.54,;15.7,-12,;14.37,-11.22,;14.4,-9.67,;13.07,-8.89,;11.72,-9.65,;11.71,-11.2,;13.04,-11.98,;14.42,-12.83,;13.12,-13.66,;11.75,-12.95,;13.19,-15.21,;14.56,-15.91,;15.85,-15.09,;17.21,-15.8,;18.52,-14.98,;19.89,-15.71,;11.89,-16.04,;10.52,-15.32,;10.45,-13.78,;9.22,-16.16,;9.29,-17.7,;7.98,-18.54,;7.9,-20.07,;6.41,-20.47,;5.59,-19.17,;6.56,-17.98,;7.84,-15.45,;7.77,-13.9,;9.07,-13.07,;6.38,-13.18,;6.39,-11.64,;5.07,-10.85,;7.49,-4.4,;8.81,-3.6,;8.77,-2.07,;10.1,-1.28,;10.08,.27,;8.73,1,;11.4,1.05,;11.36,2.59,;12.68,3.39,;14.03,2.65,;15.35,3.44,;15.3,4.99,;13.96,5.73,;12.64,4.93,;12.75,.31,;12.78,-1.22,;11.43,-1.96,;7.47,-1.27,;6.12,-2.02,;7.5,.27,;6.19,1.07,;4.84,.33,;3.52,1.13,;3.56,2.66,;2.25,3.46,;.9,2.73,;-.42,3.52,;.87,1.18,;2.18,.39,;6.22,2.61,;4.91,3.41,;7.57,3.35,;5.06,-13.97,;3.71,-13.22,;3.69,-11.68,;2.39,-14.01,;1.05,-13.26,;2.41,-15.55,;1.09,-16.33,;-.25,-15.58,;-1.57,-16.37,;-1.55,-17.9,;-2.87,-18.69,;-.2,-18.66,;1.12,-17.87,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50339350 ((R)-trans-(2R,5S,8S,11S,14S,17S,20R,25R,28R,31S)-3...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)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 |r,wU:27.29,13.13,1.0,76.81,90.96,wD:5.5,58.61,67.109,48.51,38.40,72.93,105.113,(14.42,-13.56,;13.1,-12.77,;13.11,-11.22,;14.46,-10.47,;15.78,-11.26,;14.48,-8.94,;13.15,-8.14,;11.8,-8.9,;11.79,-10.44,;10.48,-8.11,;15.82,-8.18,;15.84,-6.63,;14.52,-5.85,;17.18,-5.88,;18.51,-6.67,;18.49,-8.21,;17.24,-9.1,;17.69,-10.58,;19.23,-10.6,;20.25,-11.75,;21.77,-11.46,;22.27,-9.99,;21.25,-8.83,;19.73,-9.13,;17.21,-4.34,;18.55,-3.58,;19.87,-4.38,;18.57,-2.05,;19.9,-1.26,;19.88,.28,;21.22,1.06,;21.2,2.6,;22.53,3.39,;23.87,2.62,;22.52,4.93,;17.24,-1.28,;15.89,-2.04,;15.88,-3.59,;14.56,-1.27,;14.57,.28,;15.9,1.03,;17.22,.26,;18.56,1.01,;18.56,2.55,;17.23,3.33,;15.9,2.56,;13.21,-2.03,;11.88,-1.25,;10.54,-2.02,;10.53,-.48,;11.79,.41,;13.24,-.08,;14.16,1.15,;13.27,2.41,;11.8,1.95,;9.21,-1.24,;7.87,-2.02,;6.54,-1.26,;7.87,-3.56,;9.21,-4.33,;10.53,-3.56,;11.86,-4.34,;13.2,-3.57,;14.54,-4.36,;6.54,-4.34,;5.21,-3.58,;5.2,-2.04,;3.87,-4.36,;3.88,-5.9,;5.22,-6.65,;6.27,-10.52,;7.59,-11.31,;7.57,-12.85,;8.94,-13.57,;8.99,-15.11,;7.69,-15.93,;10.37,-15.82,;10.32,-17.37,;11.63,-18.17,;12.99,-17.43,;14.3,-18.24,;14.26,-19.79,;12.91,-20.52,;11.59,-19.71,;11.72,-15.07,;11.75,-13.52,;10.42,-12.73,;6.25,-13.63,;6.27,-15.17,;4.9,-12.88,;3.58,-13.66,;3.6,-15.2,;2.27,-15.98,;.94,-15.22,;-.39,-16,;-.37,-17.54,;-1.69,-18.33,;.98,-18.3,;2.3,-17.51,;2.24,-12.91,;.92,-13.69,;2.22,-11.37,;2.54,-3.59,;1.21,-4.37,;1.22,-5.91,;-.12,-3.61,;-.13,-2.07,;-1.46,-4.39,;-2.79,-3.62,;-2.79,-2.08,;-4.12,-1.32,;-5.45,-2.1,;-6.79,-1.33,;-5.44,-3.64,;-4.1,-4.39,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,53-,55-,56-,57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50339343 ((S)-cis-(2R,5S,8S,11S,14S,17S,20R,25R,28S,31S)-31-...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)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 |r,wU:27.29,13.13,1.0,76.81,58.61,90.96,wD:5.5,67.109,48.51,38.40,72.93,105.113,(16.35,-42.78,;15.03,-41.99,;15.05,-40.44,;16.39,-39.69,;17.71,-40.47,;16.41,-38.16,;15.08,-37.36,;13.74,-38.12,;13.72,-39.66,;12.42,-37.32,;17.75,-37.4,;17.77,-35.85,;16.45,-35.07,;19.12,-35.1,;20.44,-35.89,;20.43,-37.42,;19.17,-38.32,;19.63,-39.8,;21.17,-39.82,;22.19,-40.97,;23.71,-40.67,;24.21,-39.21,;23.19,-38.05,;21.67,-38.35,;19.15,-33.56,;20.48,-32.8,;21.81,-33.59,;20.51,-31.26,;21.83,-30.48,;21.82,-28.93,;23.15,-28.16,;23.14,-26.62,;24.46,-25.83,;25.81,-26.59,;24.46,-24.29,;19.17,-30.49,;17.82,-31.26,;17.82,-32.8,;16.49,-30.49,;16.5,-28.94,;17.83,-28.18,;19.16,-28.96,;20.49,-28.2,;20.5,-26.66,;19.17,-25.88,;17.83,-26.65,;15.14,-31.25,;13.81,-30.47,;12.47,-31.23,;12.46,-29.69,;13.72,-28.81,;15.17,-29.3,;16.09,-28.06,;15.21,-26.81,;13.74,-27.26,;11.14,-30.46,;9.81,-31.23,;8.47,-30.47,;9.81,-32.78,;11.14,-33.55,;12.46,-32.78,;13.8,-33.56,;15.14,-32.79,;16.48,-33.58,;8.47,-33.56,;7.14,-32.8,;7.13,-31.26,;5.81,-33.58,;5.82,-35.11,;7.16,-35.87,;8.21,-39.74,;9.53,-40.52,;9.5,-42.06,;10.87,-42.79,;10.92,-44.33,;9.62,-45.15,;12.3,-45.03,;12.25,-46.58,;13.57,-47.38,;14.93,-46.65,;16.24,-47.46,;16.2,-49,;14.84,-49.74,;13.52,-48.93,;13.66,-44.28,;13.68,-42.74,;12.36,-41.95,;8.18,-42.85,;8.2,-44.39,;6.84,-42.09,;5.52,-42.88,;5.54,-44.42,;4.21,-45.2,;2.88,-44.44,;1.55,-45.22,;1.57,-46.76,;.25,-47.55,;2.92,-47.52,;4.23,-46.73,;4.17,-42.12,;2.85,-42.91,;4.16,-40.59,;4.48,-32.81,;3.14,-33.59,;3.15,-35.13,;1.81,-32.82,;1.8,-31.29,;.48,-33.6,;-.85,-32.84,;-.85,-31.3,;-2.18,-30.54,;-3.52,-31.32,;-4.85,-30.55,;-3.5,-32.86,;-2.17,-33.61,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,53-,55-,56-,57-,58-,59-,60+,61-,62-,63+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50339345 ((S)-cis-(2S,5S,8S,11S,14S,17S,22R,25S,28S,31R)-25-...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)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 |r,wU:5.5,72.93,48.50,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,57.61,105.113,(15.4,-29.67,;14.08,-30.48,;14.12,-32.01,;15.48,-32.75,;16.79,-31.94,;15.52,-34.28,;14.2,-35.09,;12.85,-34.35,;12.81,-32.82,;11.54,-35.16,;16.87,-35.03,;16.9,-36.56,;15.59,-37.37,;18.25,-37.3,;19.57,-36.49,;19.53,-34.96,;18.26,-34.08,;18.7,-32.61,;20.24,-32.56,;21.24,-31.39,;22.76,-31.67,;23.27,-33.13,;22.27,-34.3,;20.76,-34.02,;18.3,-38.83,;19.65,-39.57,;20.96,-38.77,;19.7,-41.13,;21.04,-41.89,;21.05,-43.43,;22.39,-44.19,;22.4,-45.73,;23.73,-46.49,;25.06,-45.71,;23.74,-48.02,;18.4,-41.95,;17.03,-41.23,;15.73,-42.05,;15.65,-40.51,;14.31,-39.73,;14.34,-38.18,;13.01,-37.4,;11.66,-38.16,;11.65,-39.71,;12.98,-40.49,;14.36,-41.34,;13.06,-42.17,;11.69,-41.46,;13.13,-43.72,;14.5,-44.42,;15.79,-43.6,;17.15,-44.31,;18.46,-43.49,;19.83,-44.22,;11.84,-44.55,;10.46,-43.83,;10.39,-42.29,;9.16,-44.67,;9.23,-46.22,;7.92,-47.05,;7.84,-48.58,;6.35,-48.98,;5.53,-47.68,;6.5,-46.49,;7.78,-43.96,;7.71,-42.41,;9.01,-41.58,;6.32,-41.69,;6.33,-40.15,;5.01,-39.36,;7.43,-32.91,;8.75,-32.11,;8.71,-30.58,;10.04,-29.79,;10.02,-28.24,;8.67,-27.51,;11.34,-27.46,;11.3,-25.92,;12.62,-25.12,;13.97,-25.86,;15.29,-25.07,;15.24,-23.52,;13.9,-22.78,;12.58,-23.58,;12.69,-28.2,;12.72,-29.73,;11.37,-30.47,;7.41,-29.78,;6.06,-30.53,;7.44,-28.24,;6.13,-27.44,;4.78,-28.18,;3.46,-27.38,;3.5,-25.84,;2.19,-25.05,;.84,-25.78,;-.48,-24.99,;.81,-27.33,;2.12,-28.12,;6.16,-25.9,;4.85,-25.1,;7.51,-25.16,;5,-42.48,;3.65,-41.73,;3.63,-40.19,;2.33,-42.52,;.99,-41.77,;2.35,-44.06,;1.03,-44.84,;-.31,-44.09,;-1.63,-44.88,;-1.61,-46.42,;-2.93,-47.2,;-.26,-47.17,;1.06,-46.38,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,53-,55-,56-,57-,58-,59-,60+,61-,62-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.21E+3	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50339347 ((S)-cis-(2S,5S,8S,11S,14R,19R,22S,25R,28S,31S)-22-...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)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 |r,wU:1.0,37.38,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,26.28,90.96,105.113,(15.52,-30.42,;16.84,-29.65,;18.15,-30.42,;18.16,-31.93,;16.84,-32.7,;19.48,-32.7,;20.79,-31.94,;20.79,-30.41,;19.47,-29.65,;22.11,-29.64,;19.49,-34.23,;20.81,-34.97,;22.13,-34.2,;20.82,-36.51,;22.33,-36.74,;22.88,-38.16,;22.06,-39.45,;23.03,-40.63,;24.45,-40.08,;25.81,-40.76,;27.09,-39.93,;26.99,-38.4,;25.64,-37.72,;24.36,-38.55,;19.51,-37.28,;18.15,-36.56,;16.86,-37.39,;16.79,-35.85,;15.42,-35.09,;15.4,-33.53,;14.04,-32.76,;12.69,-33.55,;11.33,-32.79,;12.71,-35.12,;15.51,-36.68,;14.22,-37.5,;12.87,-36.8,;14.3,-39.04,;15.65,-39.74,;16.93,-38.91,;18.27,-39.62,;19.57,-38.81,;20.95,-39.55,;13.01,-39.86,;11.62,-39.15,;11.54,-37.59,;10.29,-39.98,;10.26,-41.55,;11.63,-42.31,;11.65,-43.87,;13.01,-44.64,;14.35,-43.84,;14.33,-42.26,;12.96,-41.51,;8.9,-39.25,;7.6,-40.13,;7.65,-41.7,;6.28,-39.33,;5.04,-40.22,;5.02,-41.75,;3.78,-42.63,;4.23,-44.09,;5.75,-44.1,;6.24,-42.65,;6.3,-37.8,;4.99,-37.01,;3.65,-37.75,;5.02,-35.46,;6.41,-34.73,;6.47,-33.17,;14.32,-29.68,;14.29,-28.11,;12.92,-27.35,;12.89,-25.82,;14.2,-25.03,;14.21,-23.47,;15.5,-25.84,;16.81,-25.04,;16.77,-23.52,;15.43,-22.79,;15.39,-21.27,;16.7,-20.47,;18.04,-21.2,;18.07,-22.72,;15.51,-27.37,;16.83,-28.11,;18.11,-27.29,;11.58,-28.17,;11.61,-29.73,;10.21,-27.41,;8.86,-28.21,;7.5,-27.46,;7.46,-25.89,;8.81,-25.09,;8.78,-23.52,;7.41,-22.76,;7.38,-21.2,;6.06,-23.58,;6.1,-25.14,;8.89,-29.78,;10.26,-30.53,;7.56,-30.59,;3.69,-34.64,;3.74,-33.07,;5.11,-32.33,;2.41,-32.25,;2.45,-30.69,;1.02,-33,;-.31,-32.17,;-.25,-30.61,;-1.58,-29.79,;-2.96,-30.52,;-4.3,-29.71,;-3,-32.1,;-1.67,-32.92,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(29-43-11-4-2-5-12-43)70(106)96-62(74(110)89-55(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)92-58(32-49-35-83-41-86-49)72(108)91-57(30-44-13-6-3-7-14-44)71(107)95-60-37-113-40-65(101)97(36-48(88-73(60)109)15-10-26-84-77(81)82)63(31-47-34-85-54-17-9-8-16-52(47)54)76(112)93-59(33-64(79)100)69(105)87-42/h2-9,11-14,16-25,34-35,41-42,48,53,55-63,85,98-99H,10,15,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,108)(H,92,111)(H,93,112)(H,94,104)(H,95,107)(H,96,106)(H4,81,82,84)/t42-,48-,53-,55-,56-,57+,58-,59-,60+,61-,62-,63-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	495	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50339344 ((R)-trans-(2S,5S,8S,11S,14S,17S,22R,25S,28R,31R)-2...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)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 |r,wU:5.5,72.93,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,48.50,57.61,105.113,(15.46,-1.16,;14.14,-1.97,;14.18,-3.5,;15.53,-4.24,;16.85,-3.43,;15.58,-5.77,;14.26,-6.58,;12.91,-5.84,;12.87,-4.31,;11.6,-6.65,;16.93,-6.52,;16.96,-8.05,;15.65,-8.86,;18.31,-8.79,;19.63,-7.98,;19.59,-6.45,;18.32,-5.57,;18.76,-4.1,;20.3,-4.05,;21.3,-2.88,;22.82,-3.16,;23.33,-4.62,;22.33,-5.79,;20.82,-5.51,;18.36,-10.32,;19.71,-11.06,;21.02,-10.26,;19.75,-12.62,;21.09,-13.38,;21.11,-14.92,;22.45,-15.68,;22.46,-17.22,;23.79,-17.98,;25.12,-17.19,;23.8,-19.51,;18.45,-13.44,;17.09,-12.72,;15.79,-13.54,;15.7,-12,;14.37,-11.22,;14.4,-9.67,;13.07,-8.89,;11.72,-9.65,;11.71,-11.2,;13.04,-11.98,;14.42,-12.83,;13.12,-13.66,;11.75,-12.95,;13.19,-15.21,;14.56,-15.91,;15.85,-15.09,;17.21,-15.8,;18.52,-14.98,;19.89,-15.71,;11.89,-16.04,;10.52,-15.32,;10.45,-13.78,;9.22,-16.16,;9.29,-17.7,;7.98,-18.54,;7.9,-20.07,;6.41,-20.47,;5.59,-19.17,;6.56,-17.98,;7.84,-15.45,;7.77,-13.9,;9.07,-13.07,;6.38,-13.18,;6.39,-11.64,;5.07,-10.85,;7.49,-4.4,;8.81,-3.6,;8.77,-2.07,;10.1,-1.28,;10.08,.27,;8.73,1,;11.4,1.05,;11.36,2.59,;12.68,3.39,;14.03,2.65,;15.35,3.44,;15.3,4.99,;13.96,5.73,;12.64,4.93,;12.75,.31,;12.78,-1.22,;11.43,-1.96,;7.47,-1.27,;6.12,-2.02,;7.5,.27,;6.19,1.07,;4.84,.33,;3.52,1.13,;3.56,2.66,;2.25,3.46,;.9,2.73,;-.42,3.52,;.87,1.18,;2.18,.39,;6.22,2.61,;4.91,3.41,;7.57,3.35,;5.06,-13.97,;3.71,-13.22,;3.69,-11.68,;2.39,-14.01,;1.05,-13.26,;2.41,-15.55,;1.09,-16.33,;-.25,-15.58,;-1.57,-16.37,;-1.55,-17.9,;-2.87,-18.69,;-.2,-18.66,;1.12,-17.87,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	540	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50339346 ((R)-trans-(2S,5S,8S,11S,14R,19R,22S,25R,28R,31S)-2...) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)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 |r,wU:1.0,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,37.38,26.28,90.96,105.113,(13.98,-2.99,;15.3,-2.22,;16.62,-2.98,;16.62,-4.5,;15.31,-5.27,;17.94,-5.26,;19.26,-4.5,;19.26,-2.98,;17.94,-2.21,;20.58,-2.21,;17.95,-6.79,;19.28,-7.53,;20.59,-6.77,;19.29,-9.07,;20.8,-9.31,;21.35,-10.73,;20.53,-12.02,;21.5,-13.2,;22.92,-12.64,;24.28,-13.33,;25.55,-12.49,;25.46,-10.96,;24.1,-10.28,;22.83,-11.11,;17.97,-9.85,;16.62,-9.13,;15.33,-9.95,;15.25,-8.42,;13.88,-7.66,;13.87,-6.09,;12.5,-5.32,;11.16,-6.12,;9.8,-5.35,;11.18,-7.69,;13.98,-9.24,;12.69,-10.07,;11.34,-9.36,;12.76,-11.6,;14.11,-12.3,;15.4,-11.48,;16.73,-12.19,;18.03,-11.38,;19.41,-12.11,;11.48,-12.43,;10.09,-11.71,;10,-10.15,;8.76,-12.55,;8.73,-14.12,;10.1,-14.87,;10.12,-16.44,;11.48,-17.2,;12.82,-16.4,;12.8,-14.82,;11.43,-14.07,;7.37,-11.81,;6.07,-12.7,;6.12,-14.27,;4.75,-11.9,;3.5,-12.79,;3.49,-14.32,;2.24,-15.19,;2.7,-16.65,;4.22,-16.66,;4.71,-15.22,;4.77,-10.37,;3.46,-9.57,;2.12,-10.31,;3.49,-8.03,;4.87,-7.3,;4.93,-5.73,;12.79,-2.24,;12.76,-.68,;11.39,.08,;11.36,1.61,;12.67,2.4,;12.67,3.96,;13.97,1.6,;15.27,2.4,;15.24,3.92,;13.9,4.65,;13.86,6.17,;15.17,6.96,;16.5,6.24,;16.54,4.71,;13.98,.06,;15.3,-.68,;16.57,.14,;10.04,-.73,;10.07,-2.3,;8.68,.03,;7.33,-.78,;5.96,-.03,;5.93,1.55,;7.28,2.35,;7.25,3.91,;5.88,4.67,;5.85,6.23,;4.53,3.86,;4.57,2.29,;7.36,-2.35,;8.73,-3.1,;6.02,-3.15,;2.16,-7.2,;2.2,-5.64,;3.58,-4.89,;.88,-4.82,;.92,-3.26,;-.51,-5.56,;-1.84,-4.73,;-1.78,-3.17,;-3.11,-2.35,;-4.49,-3.09,;-5.83,-2.27,;-4.54,-4.67,;-3.2,-5.48,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(29-43-11-4-2-5-12-43)70(106)96-62(74(110)89-55(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)92-58(32-49-35-83-41-86-49)72(108)91-57(30-44-13-6-3-7-14-44)71(107)95-60-37-113-40-65(101)97(36-48(88-73(60)109)15-10-26-84-77(81)82)63(31-47-34-85-54-17-9-8-16-52(47)54)76(112)93-59(33-64(79)100)69(105)87-42/h2-9,11-14,16-25,34-35,41-42,48,53,55-63,85,98-99H,10,15,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,108)(H,92,111)(H,93,112)(H,94,104)(H,95,107)(H,96,106)(H4,81,82,84)/t42-,48-,53-,55-,56-,57+,58-,59-,60-,61-,62-,63-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay				J Med Chem 54: 1379-90 (2011) Article DOI: 10.1021/jm101425m BindingDB Entry DOI: 10.7270/Q2FB537C
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Mus musculus (Mouse))	BDBM50027084 (Melatonan) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](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)NC1=O)C(N)=O |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.190	n/a	n/a	n/a	n/a
University of Cergy-Pontoise Curated by ChEMBL					Assay Description Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay				J Med Chem 57: 9424-34 (2014) Article DOI: 10.1021/jm501027w BindingDB Entry DOI: 10.7270/Q21G0NVT
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Mus musculus (Mouse))	BDBM50031469 (CHEMBL3358552) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of Cergy-Pontoise Curated by ChEMBL					Assay Description Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay				J Med Chem 57: 9424-34 (2014) Article DOI: 10.1021/jm501027w BindingDB Entry DOI: 10.7270/Q21G0NVT
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Mus musculus (Mouse))	BDBM50031470 (CHEMBL3358551) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a
University of Cergy-Pontoise Curated by ChEMBL					Assay Description Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay				J Med Chem 57: 9424-34 (2014) Article DOI: 10.1021/jm501027w BindingDB Entry DOI: 10.7270/Q21G0NVT
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 321 total )  |  Next  |  Last  >>

Jump to: