BDBM50267263 (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::CHEMBL509512

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CCCCCCN)NC(=O)[C@H](CO)NC(=O)CN)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=VTXVYRYQPNSSAH-BIRBKHCFSA-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 = 50267263   

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))	BDBM50267263 ((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CCCCCCN)NC(=O)[C@H](CO)NC(=O)CN)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:8.16,45.45,54.56,86.88,97.99,122.124,142.144,157.159,166.168,189.194,113.115,67.68,203.207,wD:4.4,58.59,77.79,133.135,151.153,178.182,185.190,194.198,211.215,223.229,227.232,19.31,34.37,104.106,(6.39,-6.67,;5.09,-5.86,;5.14,-4.32,;3.74,-6.58,;2.43,-5.75,;1.06,-6.47,;1,-8.01,;2.31,-8.83,;-.35,-8.74,;-1.65,-7.92,;-1.6,-6.38,;-.25,-5.67,;-.2,-4.13,;-1.5,-3.33,;-2.86,-4.05,;-2.9,-5.57,;-.4,-10.28,;-1.75,-11,;-3.06,-10.2,;-1.8,-12.54,;-.49,-13.35,;.86,-12.62,;2.17,-13.42,;2.13,-14.96,;3.9,-12.59,;5.49,-13.68,;7.22,-12.84,;8.81,-13.93,;10.54,-13.1,;12.13,-14.18,;13.87,-13.35,;-3.15,-13.27,;-4.69,-13.27,;-5.46,-11.92,;-5.48,-14.6,;-4.71,-15.94,;-3.16,-15.95,;-7.02,-14.59,;-7.8,-15.92,;-7.03,-17.26,;-9.34,-15.92,;-10.12,-17.25,;2.49,-4.21,;1.18,-3.39,;3.84,-3.5,;4.03,-1.97,;2.81,-1.04,;3.01,.48,;5.45,-1.36,;6.67,-2.29,;5.72,.14,;4.67,1.44,;5.55,2.85,;7.17,2.42,;7.03,.9,;8.3,.07,;8.22,-1.47,;9.68,.76,;10.96,-.07,;10.88,-1.61,;12.19,-2.46,;12.11,-3.98,;10.73,-4.65,;13.4,-4.83,;12.35,.61,;12.44,2.17,;13.65,-.21,;15.03,.48,;15.11,2.01,;16.47,2.71,;16.7,4.22,;18.21,4.46,;18.92,3.14,;17.85,2.03,;16.31,-.36,;16.21,-1.88,;17.68,.34,;18.97,-.49,;18.88,-2.02,;17.52,-2.7,;17.43,-4.26,;18.73,-5.1,;16.07,-4.94,;20.34,.2,;20.44,1.76,;21.62,-.62,;23.02,.08,;23.1,1.63,;21.8,2.46,;21.88,3.98,;20.59,4.84,;20.67,6.36,;22.03,7.04,;19.37,7.24,;24.28,-.76,;24.2,-2.28,;25.67,-.06,;26.96,-.9,;28.34,-.2,;28.43,1.36,;29.61,-1.02,;26.88,-2.42,;25.5,-3.1,;28.16,-3.26,;28.08,-4.8,;26.72,-5.5,;25.44,-4.66,;24.05,-5.36,;23.97,-6.91,;22.76,-4.53,;29.38,-5.66,;30.76,-4.95,;29.34,-7.2,;30.6,-8.08,;31.98,-7.39,;33.26,-8.22,;34.65,-7.51,;34.73,-5.96,;35.92,-8.35,;30.52,-9.61,;29.16,-10.29,;31.81,-10.46,;31.74,-11.98,;33.03,-12.83,;34.41,-12.12,;35.69,-12.97,;37.08,-12.26,;38.35,-13.09,;38.27,-14.62,;39.74,-12.4,;30.36,-12.67,;29.09,-11.83,;30.28,-14.22,;28.92,-14.9,;27.64,-14.07,;27.73,-12.55,;26.43,-11.71,;26.51,-10.18,;25.22,-9.32,;28.83,-16.45,;30.13,-17.3,;27.47,-17.15,;27.39,-18.7,;28.69,-19.55,;30.07,-18.84,;31.34,-19.69,;31.29,-21.18,;32.74,-18.98,;26.03,-19.4,;24.75,-18.55,;25.93,-20.94,;24.57,-21.62,;23.3,-20.8,;21.94,-21.46,;24.49,-23.17,;25.79,-24.03,;23.13,-23.87,;23.05,-25.42,;24.34,-26.27,;25.73,-25.57,;27,-26.39,;28.39,-25.7,;29.67,-26.53,;21.68,-26.1,;20.4,-25.27,;21.59,-27.66,;22.89,-28.5,;24.28,-27.81,;25.56,-28.64,;25.48,-30.17,;26.77,-31.01,;26.69,-32.54,;22.8,-30.03,;24.12,-30.87,;21.44,-30.71,;19.91,-30.09,;18.81,-31.35,;19.68,-32.79,;21.11,-32.19,;22.29,-33.19,;23.71,-32.58,;22.09,-34.72,;20.69,-35.63,;21.11,-37.25,;22.8,-37.34,;23.1,-35.82,;24.59,-35.41,;24.97,-33.92,;25.69,-36.49,;27.17,-36.08,;27.56,-34.6,;28.27,-37.17,;27.88,-38.65,;29.75,-36.76,;30.84,-37.83,;30.46,-39.33,;31.56,-40.4,;31.17,-41.89,;32.27,-42.97,;31.87,-44.46,;32.33,-37.42,;32.71,-35.93,;33.45,-38.49,;34.94,-38.1,;35.33,-36.62,;36.81,-36.21,;37.2,-34.71,;37.91,-37.28,;36.04,-39.19,;35.65,-40.67,;37.52,-38.78,;38.62,-39.85,;38.23,-41.35,;36.74,-41.75,;36.36,-43.25,;34.87,-43.66,;37.46,-44.32,;40.11,-39.44,;40.49,-37.96,;41.2,-40.53,;41.08,-42.2,;42.62,-42.84,;43.71,-41.57,;42.69,-40.39,;43.27,-38.96,;42.32,-37.76,;44.79,-38.76,;45.37,-37.32,;46.89,-37.12,;47.84,-38.32,;49.37,-38.11,;50.32,-39.3,;51.84,-39.1,;52.42,-37.66,;52.79,-40.31,;44.42,-36.11,;42.89,-36.31,;44.99,-34.69,)| Show InChI InChI=1S/C148H248N48O42/c1-79(2)68-98(130(221)183-96(47-53-113(158)203)142(233)193-64-26-41-108(193)139(230)184-97(145(236)237)38-25-63-168-148(163)164)185-123(214)85(32-14-19-57-150)172-119(210)82(7)170-137(228)106-39-28-66-195(106)144(235)109-42-29-67-196(109)141(232)95(35-17-22-60-153)182-122(213)87(34-16-21-59-152)176-135(226)103(75-198)189-128(219)93(48-54-115(205)206)178-120(211)86(33-15-20-58-151)173-121(212)88(36-23-61-166-146(159)160)174-124(215)90(44-50-110(155)200)177-126(217)92(46-52-112(157)202)181-140(231)118(81(5)6)192-129(220)89(37-24-62-167-147(161)162)175-125(216)91(45-51-111(156)201)179-133(224)101(71-84-73-165-78-169-84)188-127(218)94(49-55-116(207)208)180-138(229)107-40-27-65-194(107)143(234)104(76-199)190-131(222)99(69-80(3)4)186-132(223)100(70-83-30-11-10-12-31-83)187-136(227)105(77-238-117(209)43-13-8-9-18-56-149)191-134(225)102(74-197)171-114(204)72-154/h10-12,30-31,73,78-82,85-109,118,197-199H,8-9,13-29,32-72,74-77,149-154H2,1-7H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+6	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))	BDBM50267263 ((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CCCCCCN)NC(=O)[C@H](CO)NC(=O)CN)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:8.16,45.45,54.56,86.88,97.99,122.124,142.144,157.159,166.168,189.194,113.115,67.68,203.207,wD:4.4,58.59,77.79,133.135,151.153,178.182,185.190,194.198,211.215,223.229,227.232,19.31,34.37,104.106,(6.39,-6.67,;5.09,-5.86,;5.14,-4.32,;3.74,-6.58,;2.43,-5.75,;1.06,-6.47,;1,-8.01,;2.31,-8.83,;-.35,-8.74,;-1.65,-7.92,;-1.6,-6.38,;-.25,-5.67,;-.2,-4.13,;-1.5,-3.33,;-2.86,-4.05,;-2.9,-5.57,;-.4,-10.28,;-1.75,-11,;-3.06,-10.2,;-1.8,-12.54,;-.49,-13.35,;.86,-12.62,;2.17,-13.42,;2.13,-14.96,;3.9,-12.59,;5.49,-13.68,;7.22,-12.84,;8.81,-13.93,;10.54,-13.1,;12.13,-14.18,;13.87,-13.35,;-3.15,-13.27,;-4.69,-13.27,;-5.46,-11.92,;-5.48,-14.6,;-4.71,-15.94,;-3.16,-15.95,;-7.02,-14.59,;-7.8,-15.92,;-7.03,-17.26,;-9.34,-15.92,;-10.12,-17.25,;2.49,-4.21,;1.18,-3.39,;3.84,-3.5,;4.03,-1.97,;2.81,-1.04,;3.01,.48,;5.45,-1.36,;6.67,-2.29,;5.72,.14,;4.67,1.44,;5.55,2.85,;7.17,2.42,;7.03,.9,;8.3,.07,;8.22,-1.47,;9.68,.76,;10.96,-.07,;10.88,-1.61,;12.19,-2.46,;12.11,-3.98,;10.73,-4.65,;13.4,-4.83,;12.35,.61,;12.44,2.17,;13.65,-.21,;15.03,.48,;15.11,2.01,;16.47,2.71,;16.7,4.22,;18.21,4.46,;18.92,3.14,;17.85,2.03,;16.31,-.36,;16.21,-1.88,;17.68,.34,;18.97,-.49,;18.88,-2.02,;17.52,-2.7,;17.43,-4.26,;18.73,-5.1,;16.07,-4.94,;20.34,.2,;20.44,1.76,;21.62,-.62,;23.02,.08,;23.1,1.63,;21.8,2.46,;21.88,3.98,;20.59,4.84,;20.67,6.36,;22.03,7.04,;19.37,7.24,;24.28,-.76,;24.2,-2.28,;25.67,-.06,;26.96,-.9,;28.34,-.2,;28.43,1.36,;29.61,-1.02,;26.88,-2.42,;25.5,-3.1,;28.16,-3.26,;28.08,-4.8,;26.72,-5.5,;25.44,-4.66,;24.05,-5.36,;23.97,-6.91,;22.76,-4.53,;29.38,-5.66,;30.76,-4.95,;29.34,-7.2,;30.6,-8.08,;31.98,-7.39,;33.26,-8.22,;34.65,-7.51,;34.73,-5.96,;35.92,-8.35,;30.52,-9.61,;29.16,-10.29,;31.81,-10.46,;31.74,-11.98,;33.03,-12.83,;34.41,-12.12,;35.69,-12.97,;37.08,-12.26,;38.35,-13.09,;38.27,-14.62,;39.74,-12.4,;30.36,-12.67,;29.09,-11.83,;30.28,-14.22,;28.92,-14.9,;27.64,-14.07,;27.73,-12.55,;26.43,-11.71,;26.51,-10.18,;25.22,-9.32,;28.83,-16.45,;30.13,-17.3,;27.47,-17.15,;27.39,-18.7,;28.69,-19.55,;30.07,-18.84,;31.34,-19.69,;31.29,-21.18,;32.74,-18.98,;26.03,-19.4,;24.75,-18.55,;25.93,-20.94,;24.57,-21.62,;23.3,-20.8,;21.94,-21.46,;24.49,-23.17,;25.79,-24.03,;23.13,-23.87,;23.05,-25.42,;24.34,-26.27,;25.73,-25.57,;27,-26.39,;28.39,-25.7,;29.67,-26.53,;21.68,-26.1,;20.4,-25.27,;21.59,-27.66,;22.89,-28.5,;24.28,-27.81,;25.56,-28.64,;25.48,-30.17,;26.77,-31.01,;26.69,-32.54,;22.8,-30.03,;24.12,-30.87,;21.44,-30.71,;19.91,-30.09,;18.81,-31.35,;19.68,-32.79,;21.11,-32.19,;22.29,-33.19,;23.71,-32.58,;22.09,-34.72,;20.69,-35.63,;21.11,-37.25,;22.8,-37.34,;23.1,-35.82,;24.59,-35.41,;24.97,-33.92,;25.69,-36.49,;27.17,-36.08,;27.56,-34.6,;28.27,-37.17,;27.88,-38.65,;29.75,-36.76,;30.84,-37.83,;30.46,-39.33,;31.56,-40.4,;31.17,-41.89,;32.27,-42.97,;31.87,-44.46,;32.33,-37.42,;32.71,-35.93,;33.45,-38.49,;34.94,-38.1,;35.33,-36.62,;36.81,-36.21,;37.2,-34.71,;37.91,-37.28,;36.04,-39.19,;35.65,-40.67,;37.52,-38.78,;38.62,-39.85,;38.23,-41.35,;36.74,-41.75,;36.36,-43.25,;34.87,-43.66,;37.46,-44.32,;40.11,-39.44,;40.49,-37.96,;41.2,-40.53,;41.08,-42.2,;42.62,-42.84,;43.71,-41.57,;42.69,-40.39,;43.27,-38.96,;42.32,-37.76,;44.79,-38.76,;45.37,-37.32,;46.89,-37.12,;47.84,-38.32,;49.37,-38.11,;50.32,-39.3,;51.84,-39.1,;52.42,-37.66,;52.79,-40.31,;44.42,-36.11,;42.89,-36.31,;44.99,-34.69,)| Show InChI InChI=1S/C148H248N48O42/c1-79(2)68-98(130(221)183-96(47-53-113(158)203)142(233)193-64-26-41-108(193)139(230)184-97(145(236)237)38-25-63-168-148(163)164)185-123(214)85(32-14-19-57-150)172-119(210)82(7)170-137(228)106-39-28-66-195(106)144(235)109-42-29-67-196(109)141(232)95(35-17-22-60-153)182-122(213)87(34-16-21-59-152)176-135(226)103(75-198)189-128(219)93(48-54-115(205)206)178-120(211)86(33-15-20-58-151)173-121(212)88(36-23-61-166-146(159)160)174-124(215)90(44-50-110(155)200)177-126(217)92(46-52-112(157)202)181-140(231)118(81(5)6)192-129(220)89(37-24-62-167-147(161)162)175-125(216)91(45-51-111(156)201)179-133(224)101(71-84-73-165-78-169-84)188-127(218)94(49-55-116(207)208)180-138(229)107-40-27-65-194(107)143(234)104(76-199)190-131(222)99(69-80(3)4)186-132(223)100(70-83-30-11-10-12-31-83)187-136(227)105(77-238-117(209)43-13-8-9-18-56-149)191-134(225)102(74-197)171-114(204)72-154/h10-12,30-31,73,78-82,85-109,118,197-199H,8-9,13-29,32-72,74-77,149-154H2,1-7H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+3	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