BDBM50492977 CHEMBL2415083

SMILES: CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(O)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)CCC(O)C(C)CCC(O)C(C)C)nn1)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

InChI Key: InChIKey=HAFZNLXHOKDVCC-FGURVUBQSA-N

Data: 2 KI

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 2 hits for monomerid = 50492977   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50492977 (CHEMBL2415083) Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(O)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)CCC(O)C(C)CCC(O)C(C)C)nn1)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/C118H188N24O25/c1-12-13-32-85(131-115(164)94(68-144)137-112(161)90(60-78-42-44-82(145)45-43-78)134-114(163)93(67-143)129-102(151)37-18-15-24-56-141-66-80(139-140-141)30-22-25-58-167-101(76(11)41-50-99(149)74(9)39-48-97(147)71(4)5)52-51-100(150)75(10)40-49-98(148)73(8)38-47-96(146)70(2)3)108(157)132-87(46-53-104(153)154)110(159)136-92(62-81-64-123-69-127-81)113(162)133-89(59-77-28-16-14-17-29-77)111(160)130-86(35-26-55-124-118(121)122)109(158)135-91(61-79-63-125-84-33-20-19-31-83(79)84)107(156)126-65-103(152)128-88(34-21-23-54-119)117(166)142-57-27-36-95(142)116(165)138-105(72(6)7)106(120)155/h14,16-17,19-20,28-29,31,33,42-45,63-64,66,69-76,85-101,105,125,143-150H,12-13,15,18,21-27,30,32,34-41,46-62,65,67-68,119H2,1-11H3,(H2,120,155)(H,123,127)(H,126,156)(H,128,152)(H,129,151)(H,130,160)(H,131,164)(H,132,157)(H,133,162)(H,134,163)(H,135,158)(H,136,159)(H,137,161)(H,138,165)(H,153,154)(H4,121,122,124)/t73?,74?,75?,76?,85-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96?,97?,98?,99?,100?,101?,105-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay				Bioorg Med Chem 21: 5029-38 (2013) Article DOI: 10.1016/j.bmc.2013.06.052 BindingDB Entry DOI: 10.7270/Q26T0QK2
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50492977 (CHEMBL2415083) Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(O)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)CCC(O)C(C)CCC(O)C(C)C)nn1)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/C118H188N24O25/c1-12-13-32-85(131-115(164)94(68-144)137-112(161)90(60-78-42-44-82(145)45-43-78)134-114(163)93(67-143)129-102(151)37-18-15-24-56-141-66-80(139-140-141)30-22-25-58-167-101(76(11)41-50-99(149)74(9)39-48-97(147)71(4)5)52-51-100(150)75(10)40-49-98(148)73(8)38-47-96(146)70(2)3)108(157)132-87(46-53-104(153)154)110(159)136-92(62-81-64-123-69-127-81)113(162)133-89(59-77-28-16-14-17-29-77)111(160)130-86(35-26-55-124-118(121)122)109(158)135-91(61-79-63-125-84-33-20-19-31-83(79)84)107(156)126-65-103(152)128-88(34-21-23-54-119)117(166)142-57-27-36-95(142)116(165)138-105(72(6)7)106(120)155/h14,16-17,19-20,28-29,31,33,42-45,63-64,66,69-76,85-101,105,125,143-150H,12-13,15,18,21-27,30,32,34-41,46-62,65,67-68,119H2,1-11H3,(H2,120,155)(H,123,127)(H,126,156)(H,128,152)(H,129,151)(H,130,160)(H,131,164)(H,132,157)(H,133,162)(H,134,163)(H,135,158)(H,136,159)(H,137,161)(H,138,165)(H,153,154)(H4,121,122,124)/t73?,74?,75?,76?,85-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96?,97?,98?,99?,100?,101?,105-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay				Bioorg Med Chem 21: 5029-38 (2013) Article DOI: 10.1016/j.bmc.2013.06.052 BindingDB Entry DOI: 10.7270/Q26T0QK2
					More data for this Ligand-Target Pair