BDBM50203805 CHEMBL220853::LPNYNWNSFGLRF

SMILES: CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=AURRBCSZKDKGPU-WOUDKVOTSA-N

Data: 1 KI  1 EC50

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 = 50203805   

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
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50203805 (CHEMBL220853 | LPNYNWNSFGLRF) Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:58.61,4.4,72.75,87.91,36.37,12.13,106.110,wD:66.69,24.24,95.99,16.16,44.45,(-15.98,-18.31,;-15.96,-19.85,;-17.29,-20.63,;-14.62,-20.59,;-14.61,-22.15,;-15.94,-22.92,;-13.27,-22.92,;-13.27,-24.46,;-11.94,-22.16,;-11.46,-20.7,;-9.92,-20.7,;-9.44,-22.15,;-10.69,-23.07,;-10.69,-24.61,;-12.03,-25.37,;-9.36,-25.38,;-9.36,-26.92,;-10.7,-27.69,;-10.7,-29.23,;-9.37,-30,;-12.04,-29.99,;-8.04,-27.69,;-8.04,-29.23,;-6.7,-26.92,;-5.37,-27.69,;-5.37,-29.23,;-4.03,-30,;-4.04,-31.54,;-2.71,-32.31,;-1.37,-31.54,;-.04,-32.31,;-1.37,-29.99,;-2.7,-29.24,;-4.03,-26.92,;-4.03,-25.38,;-2.7,-27.7,;-1.37,-26.93,;-1.36,-25.39,;-.03,-24.62,;1.3,-25.39,;-.02,-23.08,;-.03,-27.7,;-.03,-29.24,;1.3,-26.93,;2.64,-27.7,;2.64,-29.24,;3.96,-30.01,;5.22,-29.02,;6.45,-30.01,;5.98,-31.48,;6.74,-32.79,;5.98,-34.12,;4.44,-34.12,;3.68,-32.79,;4.45,-31.47,;3.97,-26.93,;3.97,-25.39,;5.31,-27.7,;6.64,-26.94,;6.64,-25.4,;7.97,-24.63,;9.31,-25.4,;7.97,-23.09,;7.97,-27.71,;7.97,-29.25,;9.31,-26.94,;10.64,-27.71,;10.64,-29.25,;11.97,-30.02,;11.98,-26.94,;11.98,-25.4,;13.31,-27.71,;14.64,-26.95,;14.64,-25.41,;15.98,-24.64,;17.31,-25.41,;18.65,-24.64,;18.65,-23.1,;17.3,-22.33,;15.98,-23.1,;15.98,-27.72,;15.97,-29.26,;17.31,-26.95,;18.65,-27.71,;19.98,-26.94,;19.98,-25.4,;21.31,-27.71,;22.64,-26.95,;22.65,-25.41,;23.98,-24.64,;23.98,-23.1,;25.32,-25.41,;23.97,-27.72,;23.97,-29.26,;25.31,-26.95,;26.64,-27.72,;26.64,-29.26,;27.98,-30.03,;27.98,-31.57,;29.31,-32.34,;29.3,-33.88,;30.63,-34.66,;27.97,-34.65,;27.98,-26.95,;27.98,-25.41,;29.31,-27.72,;30.64,-26.96,;30.64,-25.42,;31.98,-24.65,;33.31,-25.43,;34.65,-24.66,;34.65,-23.12,;33.3,-22.35,;31.98,-23.12,;31.98,-27.73,;33.31,-26.96,;31.98,-29.27,)| Show InChI InChI=1S/C78H106N20O19/c1-41(2)29-49(79)76(115)98-28-14-22-61(98)75(114)95-58(37-64(82)103)72(111)91-54(32-45-23-25-47(100)26-24-45)69(108)93-56(35-62(80)101)71(110)92-55(34-46-38-86-50-20-12-11-19-48(46)50)70(109)94-57(36-63(81)102)73(112)97-60(40-99)74(113)90-53(31-43-15-7-5-8-16-43)66(105)87-39-65(104)88-52(30-42(3)4)68(107)89-51(21-13-27-85-78(83)84)67(106)96-59(77(116)117)33-44-17-9-6-10-18-44/h5-12,15-20,23-26,38,41-42,49,51-61,86,99-100H,13-14,21-22,27-37,39-40,79H2,1-4H3,(H2,80,101)(H2,81,102)(H2,82,103)(H,87,105)(H,88,104)(H,89,107)(H,90,113)(H,91,111)(H,92,110)(H,93,108)(H,94,109)(H,95,114)(H,96,106)(H,97,112)(H,116,117)(H4,83,84,85)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	552	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Health Science Center Curated by ChEMBL					Assay Description Displacement of [125]metastin from metastin receptor				J Med Chem 50: 462-71 (2007) Article DOI: 10.1021/jm0609824 BindingDB Entry DOI: 10.7270/Q2HT2P0K
					More data for this Ligand-Target Pair
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50203805 (CHEMBL220853 | LPNYNWNSFGLRF) Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:58.61,4.4,72.75,87.91,36.37,12.13,106.110,wD:66.69,24.24,95.99,16.16,44.45,(-15.98,-18.31,;-15.96,-19.85,;-17.29,-20.63,;-14.62,-20.59,;-14.61,-22.15,;-15.94,-22.92,;-13.27,-22.92,;-13.27,-24.46,;-11.94,-22.16,;-11.46,-20.7,;-9.92,-20.7,;-9.44,-22.15,;-10.69,-23.07,;-10.69,-24.61,;-12.03,-25.37,;-9.36,-25.38,;-9.36,-26.92,;-10.7,-27.69,;-10.7,-29.23,;-9.37,-30,;-12.04,-29.99,;-8.04,-27.69,;-8.04,-29.23,;-6.7,-26.92,;-5.37,-27.69,;-5.37,-29.23,;-4.03,-30,;-4.04,-31.54,;-2.71,-32.31,;-1.37,-31.54,;-.04,-32.31,;-1.37,-29.99,;-2.7,-29.24,;-4.03,-26.92,;-4.03,-25.38,;-2.7,-27.7,;-1.37,-26.93,;-1.36,-25.39,;-.03,-24.62,;1.3,-25.39,;-.02,-23.08,;-.03,-27.7,;-.03,-29.24,;1.3,-26.93,;2.64,-27.7,;2.64,-29.24,;3.96,-30.01,;5.22,-29.02,;6.45,-30.01,;5.98,-31.48,;6.74,-32.79,;5.98,-34.12,;4.44,-34.12,;3.68,-32.79,;4.45,-31.47,;3.97,-26.93,;3.97,-25.39,;5.31,-27.7,;6.64,-26.94,;6.64,-25.4,;7.97,-24.63,;9.31,-25.4,;7.97,-23.09,;7.97,-27.71,;7.97,-29.25,;9.31,-26.94,;10.64,-27.71,;10.64,-29.25,;11.97,-30.02,;11.98,-26.94,;11.98,-25.4,;13.31,-27.71,;14.64,-26.95,;14.64,-25.41,;15.98,-24.64,;17.31,-25.41,;18.65,-24.64,;18.65,-23.1,;17.3,-22.33,;15.98,-23.1,;15.98,-27.72,;15.97,-29.26,;17.31,-26.95,;18.65,-27.71,;19.98,-26.94,;19.98,-25.4,;21.31,-27.71,;22.64,-26.95,;22.65,-25.41,;23.98,-24.64,;23.98,-23.1,;25.32,-25.41,;23.97,-27.72,;23.97,-29.26,;25.31,-26.95,;26.64,-27.72,;26.64,-29.26,;27.98,-30.03,;27.98,-31.57,;29.31,-32.34,;29.3,-33.88,;30.63,-34.66,;27.97,-34.65,;27.98,-26.95,;27.98,-25.41,;29.31,-27.72,;30.64,-26.96,;30.64,-25.42,;31.98,-24.65,;33.31,-25.43,;34.65,-24.66,;34.65,-23.12,;33.3,-22.35,;31.98,-23.12,;31.98,-27.73,;33.31,-26.96,;31.98,-29.27,)| Show InChI InChI=1S/C78H106N20O19/c1-41(2)29-49(79)76(115)98-28-14-22-61(98)75(114)95-58(37-64(82)103)72(111)91-54(32-45-23-25-47(100)26-24-45)69(108)93-56(35-62(80)101)71(110)92-55(34-46-38-86-50-20-12-11-19-48(46)50)70(109)94-57(36-63(81)102)73(112)97-60(40-99)74(113)90-53(31-43-15-7-5-8-16-43)66(105)87-39-65(104)88-52(30-42(3)4)68(107)89-51(21-13-27-85-78(83)84)67(106)96-59(77(116)117)33-44-17-9-6-10-18-44/h5-12,15-20,23-26,38,41-42,49,51-61,86,99-100H,13-14,21-22,27-37,39-40,79H2,1-4H3,(H2,80,101)(H2,81,102)(H2,82,103)(H,87,105)(H,88,104)(H,89,107)(H,90,113)(H,91,111)(H,92,110)(H,93,108)(H,94,109)(H,95,114)(H,96,106)(H,97,112)(H,116,117)(H4,83,84,85)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a
University of Minnesota Health Science Center Curated by ChEMBL					Assay Description Activity at metastin receptor expressed in HEK293 cells by measuring calcium release				J Med Chem 50: 462-71 (2007) Article DOI: 10.1021/jm0609824 BindingDB Entry DOI: 10.7270/Q2HT2P0K
					More data for this Ligand-Target Pair