BDBM50203807 CHEMBL374077::LPNYNWNSFGLRF-NH2

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](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=XMKWMECGWAVOHA-FUPXZEPHSA-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 = 50203807   

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))	BDBM50203807 (CHEMBL374077 | LPNYNWNSFGLRF-NH2) 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](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:87.92,16.16,72.75,58.61,100.104,36.37,wD:12.13,4.4,66.69,24.24,44.45,92.96,111.115,(-21.16,-38.2,;-20.07,-37.12,;-20.46,-35.63,;-18.58,-37.52,;-17.5,-36.43,;-17.89,-34.94,;-16,-36.83,;-14.92,-35.74,;-15.69,-38.34,;-16.71,-39.48,;-15.94,-40.8,;-14.44,-40.48,;-14.28,-38.96,;-12.95,-38.19,;-12.95,-36.65,;-11.48,-38.64,;-10.03,-38.11,;-10.03,-36.57,;-8.7,-35.79,;-7.37,-36.57,;-8.7,-34.26,;-8.7,-38.88,;-8.7,-40.42,;-7.47,-37.95,;-6.33,-38.98,;-6.33,-40.52,;-5,-41.29,;-3.68,-40.52,;-2.36,-41.29,;-2.36,-42.83,;-1.02,-43.6,;-3.68,-43.59,;-5,-42.82,;-5,-38.21,;-5,-36.67,;-3.67,-38.98,;-2.34,-38.21,;-2.34,-36.67,;-1.01,-35.89,;.44,-36.34,;-1.01,-34.36,;-1.01,-38.98,;-1.01,-40.52,;.22,-38.05,;1.36,-39.09,;1.36,-40.62,;2.69,-41.39,;4.17,-40.77,;5.27,-41.85,;4.37,-43.11,;4.86,-44.46,;3.82,-45.49,;2.39,-45.18,;1.95,-43.77,;2.96,-42.75,;2.69,-38.31,;2.69,-36.77,;4.02,-39.09,;5.36,-38.31,;5.36,-36.77,;6.69,-36,;8.02,-36.77,;6.69,-34.46,;6.69,-39.09,;6.69,-40.62,;7.91,-38.15,;9.06,-39.19,;9.06,-40.72,;10.5,-41.17,;10.39,-38.41,;10.39,-36.87,;11.86,-38.87,;13.3,-38.33,;13.3,-36.79,;14.63,-36.02,;15.97,-36.79,;17.3,-36.01,;17.3,-34.47,;15.95,-33.69,;14.63,-34.49,;14.63,-39.11,;14.63,-40.64,;15.86,-38.18,;17,-39.21,;18.33,-38.44,;18.33,-36.89,;19.8,-38.89,;21.25,-38.36,;21.25,-36.82,;22.59,-39.13,;22.59,-40.66,;23.81,-38.2,;24.96,-39.23,;24.96,-40.77,;26.29,-41.54,;26.29,-43.08,;27.62,-40.77,;26.29,-38.46,;26.29,-36.92,;27.62,-39.23,;28.95,-38.46,;28.95,-36.92,;30.28,-36.15,;30.28,-34.61,;31.61,-33.84,;31.61,-32.3,;30.28,-31.53,;32.94,-31.53,;30.28,-39.23,;30.28,-40.77,;31.61,-38.46,;32.94,-39.23,;32.94,-40.77,;34.27,-41.54,;35.61,-40.77,;36.93,-41.54,;36.93,-43.07,;35.6,-43.84,;34.27,-43.07,;34.27,-38.46,;35.61,-39.23,;34.27,-36.92,)| Show InChI InChI=1S/C81H112N22O19/c1-42(2)30-51(82)80(122)103-29-15-23-63(103)79(121)101-61(38-66(85)108)76(118)97-57(34-47-24-26-49(105)27-25-47)73(115)99-59(36-64(83)106)75(117)98-58(35-48-39-90-52-21-13-12-20-50(48)52)74(116)100-60(37-65(84)107)77(119)102-62(41-104)78(120)96-56(33-46-18-10-7-11-19-46)70(112)91-40-67(109)92-44(5)69(111)95-55(31-43(3)4)72(114)93-53(22-14-28-89-81(87)88)71(113)94-54(68(86)110)32-45-16-8-6-9-17-45/h6-13,16-21,24-27,39,42-44,51,53-63,90,104-105H,14-15,22-23,28-38,40-41,82H2,1-5H3,(H2,83,106)(H2,84,107)(H2,85,108)(H2,86,110)(H,91,112)(H,92,109)(H,93,114)(H,94,113)(H,95,111)(H,96,120)(H,97,118)(H,98,117)(H,99,115)(H,100,116)(H,101,121)(H,102,119)(H4,87,88,89)/t44-,51-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94.8	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))	BDBM50203807 (CHEMBL374077 | LPNYNWNSFGLRF-NH2) 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](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:87.92,16.16,72.75,58.61,100.104,36.37,wD:12.13,4.4,66.69,24.24,44.45,92.96,111.115,(-21.16,-38.2,;-20.07,-37.12,;-20.46,-35.63,;-18.58,-37.52,;-17.5,-36.43,;-17.89,-34.94,;-16,-36.83,;-14.92,-35.74,;-15.69,-38.34,;-16.71,-39.48,;-15.94,-40.8,;-14.44,-40.48,;-14.28,-38.96,;-12.95,-38.19,;-12.95,-36.65,;-11.48,-38.64,;-10.03,-38.11,;-10.03,-36.57,;-8.7,-35.79,;-7.37,-36.57,;-8.7,-34.26,;-8.7,-38.88,;-8.7,-40.42,;-7.47,-37.95,;-6.33,-38.98,;-6.33,-40.52,;-5,-41.29,;-3.68,-40.52,;-2.36,-41.29,;-2.36,-42.83,;-1.02,-43.6,;-3.68,-43.59,;-5,-42.82,;-5,-38.21,;-5,-36.67,;-3.67,-38.98,;-2.34,-38.21,;-2.34,-36.67,;-1.01,-35.89,;.44,-36.34,;-1.01,-34.36,;-1.01,-38.98,;-1.01,-40.52,;.22,-38.05,;1.36,-39.09,;1.36,-40.62,;2.69,-41.39,;4.17,-40.77,;5.27,-41.85,;4.37,-43.11,;4.86,-44.46,;3.82,-45.49,;2.39,-45.18,;1.95,-43.77,;2.96,-42.75,;2.69,-38.31,;2.69,-36.77,;4.02,-39.09,;5.36,-38.31,;5.36,-36.77,;6.69,-36,;8.02,-36.77,;6.69,-34.46,;6.69,-39.09,;6.69,-40.62,;7.91,-38.15,;9.06,-39.19,;9.06,-40.72,;10.5,-41.17,;10.39,-38.41,;10.39,-36.87,;11.86,-38.87,;13.3,-38.33,;13.3,-36.79,;14.63,-36.02,;15.97,-36.79,;17.3,-36.01,;17.3,-34.47,;15.95,-33.69,;14.63,-34.49,;14.63,-39.11,;14.63,-40.64,;15.86,-38.18,;17,-39.21,;18.33,-38.44,;18.33,-36.89,;19.8,-38.89,;21.25,-38.36,;21.25,-36.82,;22.59,-39.13,;22.59,-40.66,;23.81,-38.2,;24.96,-39.23,;24.96,-40.77,;26.29,-41.54,;26.29,-43.08,;27.62,-40.77,;26.29,-38.46,;26.29,-36.92,;27.62,-39.23,;28.95,-38.46,;28.95,-36.92,;30.28,-36.15,;30.28,-34.61,;31.61,-33.84,;31.61,-32.3,;30.28,-31.53,;32.94,-31.53,;30.28,-39.23,;30.28,-40.77,;31.61,-38.46,;32.94,-39.23,;32.94,-40.77,;34.27,-41.54,;35.61,-40.77,;36.93,-41.54,;36.93,-43.07,;35.6,-43.84,;34.27,-43.07,;34.27,-38.46,;35.61,-39.23,;34.27,-36.92,)| Show InChI InChI=1S/C81H112N22O19/c1-42(2)30-51(82)80(122)103-29-15-23-63(103)79(121)101-61(38-66(85)108)76(118)97-57(34-47-24-26-49(105)27-25-47)73(115)99-59(36-64(83)106)75(117)98-58(35-48-39-90-52-21-13-12-20-50(48)52)74(116)100-60(37-65(84)107)77(119)102-62(41-104)78(120)96-56(33-46-18-10-7-11-19-46)70(112)91-40-67(109)92-44(5)69(111)95-55(31-43(3)4)72(114)93-53(22-14-28-89-81(87)88)71(113)94-54(68(86)110)32-45-16-8-6-9-17-45/h6-13,16-21,24-27,39,42-44,51,53-63,90,104-105H,14-15,22-23,28-38,40-41,82H2,1-5H3,(H2,83,106)(H2,84,107)(H2,85,108)(H2,86,110)(H,91,112)(H,92,109)(H,93,114)(H,94,113)(H,95,111)(H,96,120)(H,97,118)(H,98,117)(H,99,115)(H,100,116)(H,101,121)(H,102,119)(H4,87,88,89)/t44-,51-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/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	290	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