BDBM50354715 CHEMBL1834395

SMILES: CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1)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](CCCN=C(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

InChI Key: InChIKey=VZYAQZVIUQKUDR-WOHLINOASA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50354715   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 1 (Mus musculus)	BDBM50354715 (CHEMBL1834395) Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1)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](CCCN=C(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,wU:26.29,8.10,4.4,120.125,138.145,154.162,wD:14.23,79.82,88.91,98.102,109.114,150.159,(30.34,-37.71,;30.34,-39.25,;29.01,-40.02,;29.01,-41.56,;27.68,-42.34,;26.34,-41.56,;25.01,-42.34,;25.01,-43.87,;23.67,-41.56,;23.67,-40.02,;25.01,-39.25,;22.33,-42.34,;21,-41.56,;21,-40.02,;19.66,-42.34,;19.66,-43.87,;21,-44.65,;22.33,-43.88,;23.66,-44.65,;23.66,-46.19,;24.99,-46.96,;22.32,-46.96,;21,-46.18,;18.33,-41.56,;16.99,-42.34,;16.99,-43.87,;15.66,-41.56,;15.66,-40.02,;14.32,-39.25,;14.32,-42.34,;12.99,-41.57,;11.66,-42.35,;10.32,-41.58,;9,-42.35,;7.67,-41.59,;6.34,-42.36,;5,-41.6,;4.83,-40.06,;3.33,-39.75,;2.7,-40.98,;3.6,-42.22,;3.36,-43.75,;2.12,-44.64,;.6,-44.4,;-.31,-43.16,;-.07,-41.64,;1.18,-40.73,;1.94,-39.4,;-.16,-39.95,;-1.49,-40.71,;-.15,-38.41,;-1.47,-37.63,;-1.46,-36.1,;-2.79,-35.32,;-2.78,-33.78,;-4.1,-33,;-4.09,-31.47,;-5.42,-30.69,;-2.76,-30.71,;-2.74,-29.17,;-1.3,-28.62,;-.56,-27.29,;-.86,-25.78,;.46,-24.99,;1.81,-25.73,;3.12,-24.93,;1.84,-27.27,;-2.04,-24.82,;-3.58,-24.85,;-4.74,-25.85,;-6.09,-25.1,;-7.41,-25.89,;-8.75,-25.14,;-7.38,-27.43,;-4.98,-27.36,;-4.19,-28.68,;27.68,-43.87,;26.34,-44.65,;29.01,-44.65,;29.01,-46.19,;27.68,-46.96,;27.68,-48.5,;26.34,-49.28,;25.01,-48.5,;26.34,-50.81,;30.34,-46.96,;31.69,-46.19,;30.34,-48.5,;31.69,-49.28,;31.69,-50.81,;30.34,-51.59,;30.19,-53.12,;28.68,-53.45,;27.91,-52.11,;28.94,-50.96,;33.02,-48.5,;33.02,-46.96,;34.35,-49.28,;35.69,-48.5,;35.69,-46.96,;37.03,-46.19,;38.36,-46.96,;39.69,-46.19,;39.69,-44.65,;38.36,-43.87,;37.03,-44.65,;37.03,-49.28,;37.03,-50.81,;38.36,-48.5,;39.7,-49.28,;39.7,-50.81,;41.03,-51.59,;41.03,-53.13,;42.37,-53.91,;42.37,-55.44,;41.03,-56.22,;43.71,-56.22,;41.03,-48.5,;41.03,-46.96,;42.37,-49.28,;43.71,-48.5,;43.71,-46.96,;45.04,-46.19,;46.45,-46.81,;47.48,-45.67,;46.71,-44.33,;47.19,-42.87,;46.17,-41.72,;44.66,-42.04,;44.17,-43.51,;45.21,-44.65,;45.04,-49.28,;45.04,-50.81,;46.38,-48.5,;47.72,-49.28,;49.05,-48.5,;49.05,-46.96,;50.39,-49.28,;51.72,-48.5,;51.72,-46.96,;50.39,-46.19,;50.39,-44.65,;51.72,-43.87,;51.72,-42.34,;53.06,-49.28,;54.4,-48.5,;53.06,-50.81,;51.81,-51.73,;52.28,-53.19,;53.83,-53.19,;54.31,-51.73,;55.6,-50.9,;55.62,-49.36,;56.94,-51.68,;58.28,-50.92,;58.29,-49.38,;59.63,-48.62,;56.96,-48.59,;59.61,-51.7,;59.59,-53.25,;60.95,-50.94,)| Show InChI InChI=1S/C107H160FN29O24/c1-4-5-27-74(123-102(158)83(64-139)129-99(155)79(54-68-33-35-71(140)36-34-68)126-101(157)82(63-138)114-41-18-6-7-21-46-137-84-31-12-9-16-39-107(108,92(84)131-132-137)105(161)116-43-20-19-42-115-87(142)60-133-47-49-134(61-89(145)146)51-52-135(50-48-133)62-90(147)148)95(151)124-76(37-38-88(143)144)97(153)128-81(56-70-58-113-65-120-70)100(156)125-78(53-67-24-10-8-11-25-67)98(154)122-75(30-22-44-117-106(111)112)96(152)127-80(55-69-57-118-73-28-14-13-26-72(69)73)94(150)119-59-86(141)121-77(29-15-17-40-109)104(160)136-45-23-32-85(136)103(159)130-91(66(2)3)93(110)149/h8,10-11,13-14,24-26,28,33-36,57-58,65-66,74-83,85,91,114,118,138-140H,4-7,9,12,15-23,27,29-32,37-56,59-64,109H2,1-3H3,(H2,110,149)(H,113,120)(H,115,142)(H,116,161)(H,119,150)(H,121,141)(H,122,154)(H,123,158)(H,124,151)(H,125,156)(H,126,157)(H,127,152)(H,128,153)(H,129,155)(H,130,159)(H,143,144)(H,145,146)(H,147,148)(H4,111,112,117)/t74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,85-,91-,107?/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting				Bioorg Med Chem Lett 21: 5757-61 (2011) Article DOI: 10.1016/j.bmcl.2011.08.017 BindingDB Entry DOI: 10.7270/Q2H132DZ
					More data for this Ligand-Target Pair