BDBM50267950 (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(2S)-6-amino-1-[(2S)-2-{[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}pyrrolidin-1-yl]-4-carbamoyl-1-oxobutan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]carbonyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}pentyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-carboxypropyl]c::CHEMBL526723

SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O

InChI Key: InChIKey=IXBZWMGMKOUNDI-GGWJGSKASA-N

Data: 2 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 2 hits for monomerid = 50267950   

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
Ghrelin receptor (Homo sapiens (Human))	BDBM50267950 ((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-...) Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:53.53,62.64,94.96,105.107,130.132,150.152,165.167,174.176,197.202,34.33,121.123,75.76,211.215,wD:45.45,66.67,85.87,141.143,159.161,186.190,193.198,202.206,219.223,231.237,235.240,19.19,23.25,112.114,(8.99,-19.3,;9.02,-17.76,;10.36,-17.01,;10.38,-15.47,;11.73,-14.72,;11.75,-13.18,;10.43,-12.39,;9.09,-13.14,;7.76,-12.35,;6.42,-13.1,;5.1,-12.31,;3.75,-13.06,;2.43,-12.27,;1.08,-13.02,;-.24,-12.23,;-1.58,-12.98,;-1.61,-14.52,;-2.9,-12.19,;-4.25,-12.94,;-5.57,-12.15,;-6.91,-12.9,;-8.45,-12.92,;-9.24,-11.58,;-9.22,-14.26,;-8.43,-15.59,;-6.88,-15.58,;-10.76,-14.28,;-11.52,-15.62,;-10.73,-16.95,;-13.06,-15.64,;-13.82,-16.98,;-5.54,-10.61,;-6.86,-9.82,;-4.2,-9.87,;-4.17,-8.33,;-5.49,-7.52,;-5.46,-5.98,;-4.12,-5.25,;-4.09,-3.72,;-5.4,-2.93,;-6.75,-3.67,;-6.77,-5.2,;-2.83,-7.58,;-1.51,-8.38,;-2.79,-6.04,;-1.43,-5.3,;-.12,-6.1,;1.23,-5.37,;2.54,-6.16,;1.26,-3.83,;-1.4,-3.76,;-2.72,-2.96,;-.05,-3.03,;-.02,-1.49,;-1.33,-.68,;-1.29,.83,;1.33,-.73,;2.64,-1.53,;1.44,.79,;.26,1.98,;.99,3.48,;2.65,3.23,;2.67,1.68,;4.01,.99,;4.09,-.55,;5.32,1.81,;6.68,1.12,;6.75,-.42,;8.15,-1.13,;8.22,-2.65,;6.92,-3.46,;9.6,-3.37,;8,1.94,;7.93,3.51,;9.36,1.23,;10.65,2.08,;10.57,3.63,;11.85,4.45,;11.93,5.99,;13.41,6.39,;14.25,5.12,;13.29,3.91,;12.01,1.37,;12.07,-.14,;13.31,2.22,;14.67,1.52,;14.74,-.01,;13.45,-.83,;13.53,-2.39,;14.91,-3.09,;12.24,-3.21,;15.97,2.35,;15.9,3.92,;17.33,1.66,;18.64,2.5,;18.56,4.05,;17.19,4.75,;17.11,6.28,;15.73,6.99,;15.66,8.52,;16.94,9.34,;14.28,9.25,;19.99,1.8,;20.06,.28,;21.3,2.64,;22.66,1.93,;23.97,2.78,;23.9,4.32,;25.32,2.08,;22.74,.42,;21.44,-.4,;24.11,-.29,;24.18,-1.83,;22.9,-2.67,;21.54,-1.96,;20.23,-2.8,;20.3,-4.35,;18.86,-2.11,;25.56,-2.55,;26.87,-1.7,;25.67,-4.09,;27.03,-4.81,;28.33,-3.98,;29.69,-4.68,;31,-3.83,;30.93,-2.28,;32.35,-4.54,;27.11,-6.34,;25.83,-7.16,;28.49,-7.06,;28.56,-8.57,;29.94,-9.29,;31.24,-8.45,;32.6,-9.15,;33.91,-8.31,;35.26,-9,;35.34,-10.53,;36.57,-8.17,;27.27,-9.41,;25.92,-8.7,;27.34,-10.96,;26.06,-11.78,;24.7,-11.08,;24.64,-9.55,;23.26,-8.85,;23.18,-7.32,;21.81,-6.61,;26.14,-13.33,;27.51,-14.04,;24.85,-14.16,;24.93,-15.71,;26.31,-16.43,;27.61,-15.58,;28.97,-16.29,;29.06,-17.8,;30.28,-15.44,;23.65,-16.55,;22.29,-15.84,;23.71,-18.09,;22.43,-18.91,;21.07,-18.22,;19.78,-19.05,;22.51,-20.46,;23.88,-21.18,;21.22,-21.3,;21.3,-22.84,;22.68,-23.56,;23.99,-22.72,;25.34,-23.41,;26.65,-22.58,;28.01,-23.27,;20.01,-23.66,;18.66,-22.97,;20.08,-25.23,;21.46,-25.93,;22.77,-25.1,;24.13,-25.79,;24.21,-27.32,;25.58,-28.03,;25.66,-29.56,;21.53,-27.46,;22.92,-28.16,;20.25,-28.28,;18.66,-27.81,;17.7,-29.19,;18.7,-30.53,;20.07,-29.78,;21.34,-30.66,;22.69,-29.91,;21.31,-32.2,;20,-33.25,;20.59,-34.82,;22.28,-34.73,;22.42,-33.19,;23.87,-32.63,;24.09,-31.11,;25.07,-33.59,;26.5,-33.03,;26.73,-31.52,;27.71,-34,;27.47,-35.51,;29.13,-33.44,;30.33,-34.4,;30.11,-35.92,;31.31,-36.88,;31.08,-38.41,;32.28,-39.36,;32.04,-40.89,;31.78,-33.84,;32,-32.31,;32.99,-34.78,;34.43,-34.24,;34.68,-32.73,;36.1,-32.17,;36.34,-30.64,;37.31,-33.12,;35.64,-35.21,;35.41,-36.72,;37.08,-34.65,;38.28,-35.61,;38.05,-37.14,;36.61,-37.69,;36.38,-39.22,;34.94,-39.78,;37.58,-40.18,;39.72,-35.05,;39.94,-33.54,;40.92,-36.02,;40.97,-37.69,;42.57,-38.17,;43.53,-36.79,;42.39,-35.73,;42.81,-34.24,;41.74,-33.15,;44.31,-33.88,;44.74,-32.4,;46.23,-32.04,;47.3,-33.13,;48.8,-32.77,;49.87,-33.86,;51.36,-33.5,;51.79,-32.01,;52.43,-34.6,;43.67,-31.29,;42.17,-31.64,;44.09,-29.82,)| Show InChI InChI=1S/C157H265N47O42/c1-9-10-11-12-13-14-15-16-17-18-19-20-24-53-126(217)246-86-114(199-143(233)111(83-205)179-123(212)81-162)145(235)195-109(79-92-40-22-21-23-41-92)141(231)194-108(78-89(4)5)140(230)198-113(85-207)152(242)202-74-37-50-116(202)147(237)188-103(59-65-125(215)216)136(226)196-110(80-93-82-173-87-177-93)142(232)187-100(55-61-120(164)209)134(224)183-98(47-34-71-175-156(169)170)138(228)200-127(90(6)7)149(239)189-101(56-62-121(165)210)135(225)185-99(54-60-119(163)208)133(223)182-97(46-33-70-174-155(167)168)130(220)181-95(43-26-30-67-159)129(219)186-102(58-64-124(213)214)137(227)197-112(84-206)144(234)184-96(44-27-31-68-160)131(221)190-104(45-28-32-69-161)150(240)204-76-39-52-118(204)153(243)203-75-38-49-115(203)146(236)178-91(8)128(218)180-94(42-25-29-66-158)132(222)193-107(77-88(2)3)139(229)191-105(57-63-122(166)211)151(241)201-73-36-51-117(201)148(238)192-106(154(244)245)48-35-72-176-157(171)172/h21-23,40-41,82,87-91,94-118,127,205-207H,9-20,24-39,42-81,83-86,158-162H2,1-8H3,(H2,163,208)(H2,164,209)(H2,165,210)(H2,166,211)(H,173,177)(H,178,236)(H,179,212)(H,180,218)(H,181,220)(H,182,223)(H,183,224)(H,184,234)(H,185,225)(H,186,219)(H,187,232)(H,188,237)(H,189,239)(H,190,221)(H,191,229)(H,192,238)(H,193,222)(H,194,231)(H,195,235)(H,196,226)(H,197,227)(H,198,230)(H,199,233)(H,200,228)(H,213,214)(H,215,216)(H,244,245)(H4,167,168,174)(H4,169,170,175)(H4,171,172,176)/t91-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,127-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
University of Western Ontario Curated by ChEMBL					Assay Description Displacement of [35S]MK-0677 from human growth hormone secretagogue receptor				J Med Chem 52: 2196-203 (2009) Article DOI: 10.1021/jm8014519 BindingDB Entry DOI: 10.7270/Q2X63NWQ
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50267950 ((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-...) Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:53.53,62.64,94.96,105.107,130.132,150.152,165.167,174.176,197.202,34.33,121.123,75.76,211.215,wD:45.45,66.67,85.87,141.143,159.161,186.190,193.198,202.206,219.223,231.237,235.240,19.19,23.25,112.114,(8.99,-19.3,;9.02,-17.76,;10.36,-17.01,;10.38,-15.47,;11.73,-14.72,;11.75,-13.18,;10.43,-12.39,;9.09,-13.14,;7.76,-12.35,;6.42,-13.1,;5.1,-12.31,;3.75,-13.06,;2.43,-12.27,;1.08,-13.02,;-.24,-12.23,;-1.58,-12.98,;-1.61,-14.52,;-2.9,-12.19,;-4.25,-12.94,;-5.57,-12.15,;-6.91,-12.9,;-8.45,-12.92,;-9.24,-11.58,;-9.22,-14.26,;-8.43,-15.59,;-6.88,-15.58,;-10.76,-14.28,;-11.52,-15.62,;-10.73,-16.95,;-13.06,-15.64,;-13.82,-16.98,;-5.54,-10.61,;-6.86,-9.82,;-4.2,-9.87,;-4.17,-8.33,;-5.49,-7.52,;-5.46,-5.98,;-4.12,-5.25,;-4.09,-3.72,;-5.4,-2.93,;-6.75,-3.67,;-6.77,-5.2,;-2.83,-7.58,;-1.51,-8.38,;-2.79,-6.04,;-1.43,-5.3,;-.12,-6.1,;1.23,-5.37,;2.54,-6.16,;1.26,-3.83,;-1.4,-3.76,;-2.72,-2.96,;-.05,-3.03,;-.02,-1.49,;-1.33,-.68,;-1.29,.83,;1.33,-.73,;2.64,-1.53,;1.44,.79,;.26,1.98,;.99,3.48,;2.65,3.23,;2.67,1.68,;4.01,.99,;4.09,-.55,;5.32,1.81,;6.68,1.12,;6.75,-.42,;8.15,-1.13,;8.22,-2.65,;6.92,-3.46,;9.6,-3.37,;8,1.94,;7.93,3.51,;9.36,1.23,;10.65,2.08,;10.57,3.63,;11.85,4.45,;11.93,5.99,;13.41,6.39,;14.25,5.12,;13.29,3.91,;12.01,1.37,;12.07,-.14,;13.31,2.22,;14.67,1.52,;14.74,-.01,;13.45,-.83,;13.53,-2.39,;14.91,-3.09,;12.24,-3.21,;15.97,2.35,;15.9,3.92,;17.33,1.66,;18.64,2.5,;18.56,4.05,;17.19,4.75,;17.11,6.28,;15.73,6.99,;15.66,8.52,;16.94,9.34,;14.28,9.25,;19.99,1.8,;20.06,.28,;21.3,2.64,;22.66,1.93,;23.97,2.78,;23.9,4.32,;25.32,2.08,;22.74,.42,;21.44,-.4,;24.11,-.29,;24.18,-1.83,;22.9,-2.67,;21.54,-1.96,;20.23,-2.8,;20.3,-4.35,;18.86,-2.11,;25.56,-2.55,;26.87,-1.7,;25.67,-4.09,;27.03,-4.81,;28.33,-3.98,;29.69,-4.68,;31,-3.83,;30.93,-2.28,;32.35,-4.54,;27.11,-6.34,;25.83,-7.16,;28.49,-7.06,;28.56,-8.57,;29.94,-9.29,;31.24,-8.45,;32.6,-9.15,;33.91,-8.31,;35.26,-9,;35.34,-10.53,;36.57,-8.17,;27.27,-9.41,;25.92,-8.7,;27.34,-10.96,;26.06,-11.78,;24.7,-11.08,;24.64,-9.55,;23.26,-8.85,;23.18,-7.32,;21.81,-6.61,;26.14,-13.33,;27.51,-14.04,;24.85,-14.16,;24.93,-15.71,;26.31,-16.43,;27.61,-15.58,;28.97,-16.29,;29.06,-17.8,;30.28,-15.44,;23.65,-16.55,;22.29,-15.84,;23.71,-18.09,;22.43,-18.91,;21.07,-18.22,;19.78,-19.05,;22.51,-20.46,;23.88,-21.18,;21.22,-21.3,;21.3,-22.84,;22.68,-23.56,;23.99,-22.72,;25.34,-23.41,;26.65,-22.58,;28.01,-23.27,;20.01,-23.66,;18.66,-22.97,;20.08,-25.23,;21.46,-25.93,;22.77,-25.1,;24.13,-25.79,;24.21,-27.32,;25.58,-28.03,;25.66,-29.56,;21.53,-27.46,;22.92,-28.16,;20.25,-28.28,;18.66,-27.81,;17.7,-29.19,;18.7,-30.53,;20.07,-29.78,;21.34,-30.66,;22.69,-29.91,;21.31,-32.2,;20,-33.25,;20.59,-34.82,;22.28,-34.73,;22.42,-33.19,;23.87,-32.63,;24.09,-31.11,;25.07,-33.59,;26.5,-33.03,;26.73,-31.52,;27.71,-34,;27.47,-35.51,;29.13,-33.44,;30.33,-34.4,;30.11,-35.92,;31.31,-36.88,;31.08,-38.41,;32.28,-39.36,;32.04,-40.89,;31.78,-33.84,;32,-32.31,;32.99,-34.78,;34.43,-34.24,;34.68,-32.73,;36.1,-32.17,;36.34,-30.64,;37.31,-33.12,;35.64,-35.21,;35.41,-36.72,;37.08,-34.65,;38.28,-35.61,;38.05,-37.14,;36.61,-37.69,;36.38,-39.22,;34.94,-39.78,;37.58,-40.18,;39.72,-35.05,;39.94,-33.54,;40.92,-36.02,;40.97,-37.69,;42.57,-38.17,;43.53,-36.79,;42.39,-35.73,;42.81,-34.24,;41.74,-33.15,;44.31,-33.88,;44.74,-32.4,;46.23,-32.04,;47.3,-33.13,;48.8,-32.77,;49.87,-33.86,;51.36,-33.5,;51.79,-32.01,;52.43,-34.6,;43.67,-31.29,;42.17,-31.64,;44.09,-29.82,)| Show InChI InChI=1S/C157H265N47O42/c1-9-10-11-12-13-14-15-16-17-18-19-20-24-53-126(217)246-86-114(199-143(233)111(83-205)179-123(212)81-162)145(235)195-109(79-92-40-22-21-23-41-92)141(231)194-108(78-89(4)5)140(230)198-113(85-207)152(242)202-74-37-50-116(202)147(237)188-103(59-65-125(215)216)136(226)196-110(80-93-82-173-87-177-93)142(232)187-100(55-61-120(164)209)134(224)183-98(47-34-71-175-156(169)170)138(228)200-127(90(6)7)149(239)189-101(56-62-121(165)210)135(225)185-99(54-60-119(163)208)133(223)182-97(46-33-70-174-155(167)168)130(220)181-95(43-26-30-67-159)129(219)186-102(58-64-124(213)214)137(227)197-112(84-206)144(234)184-96(44-27-31-68-160)131(221)190-104(45-28-32-69-161)150(240)204-76-39-52-118(204)153(243)203-75-38-49-115(203)146(236)178-91(8)128(218)180-94(42-25-29-66-158)132(222)193-107(77-88(2)3)139(229)191-105(57-63-122(166)211)151(241)201-73-36-51-117(201)148(238)192-106(154(244)245)48-35-72-176-157(171)172/h21-23,40-41,82,87-91,94-118,127,205-207H,9-20,24-39,42-81,83-86,158-162H2,1-8H3,(H2,163,208)(H2,164,209)(H2,165,210)(H2,166,211)(H,173,177)(H,178,236)(H,179,212)(H,180,218)(H,181,220)(H,182,223)(H,183,224)(H,184,234)(H,185,225)(H,186,219)(H,187,232)(H,188,237)(H,189,239)(H,190,221)(H,191,229)(H,192,238)(H,193,222)(H,194,231)(H,195,235)(H,196,226)(H,197,227)(H,198,230)(H,199,233)(H,200,228)(H,213,214)(H,215,216)(H,244,245)(H4,167,168,174)(H4,169,170,175)(H4,171,172,176)/t91-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,127-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...				J Med Chem 43: 4370-6 (2000) BindingDB Entry DOI: 10.7270/Q2T72GP0
					More data for this Ligand-Target Pair