null

SMILES: CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)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=GKSGYBYOKWVSLP-RJKLHVOGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50422314   

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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50422314 (CHEMBL2310892) Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)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:178.182,185.190,223.229,97.99,34.37,151.153,58.59,15.19,166.168,113.115,133.135,211.215,194.198,227.232,wD:54.56,11.11,23.31,67.68,104.106,77.79,157.159,142.144,86.88,122.124,203.207,40.43,189.194,(47.19,-3.87,;45.71,-3.47,;44.62,-4.56,;43.13,-4.16,;42.04,-5.25,;40.55,-4.86,;39.46,-5.94,;37.98,-5.55,;37.58,-4.06,;36.89,-6.64,;35.4,-6.24,;34.31,-7.33,;34.71,-8.81,;36.2,-9.21,;37.29,-8.12,;36.6,-10.7,;35.51,-11.79,;34.02,-11.39,;32.93,-12.48,;33.62,-9.9,;38.08,-11.1,;38.48,-12.58,;37.39,-13.67,;39.97,-12.98,;41.06,-11.89,;40.66,-10.41,;39.17,-10.01,;38.77,-8.52,;39.86,-7.43,;41.35,-7.83,;41.75,-9.32,;40.37,-14.47,;41.86,-14.87,;42.95,-13.78,;42.26,-16.36,;41.17,-17.45,;39.68,-17.05,;43.74,-16.76,;44.14,-18.24,;43.05,-19.33,;45.63,-18.64,;46.72,-17.55,;46.32,-16.06,;46.03,-20.13,;47.52,-20.53,;48.6,-19.44,;47.91,-22.01,;49.4,-22.41,;32.82,-6.93,;31.74,-8.02,;32.43,-5.44,;33.39,-4.24,;32.56,-2.95,;31.07,-3.35,;30.99,-4.89,;29.7,-5.73,;29.78,-7.26,;28.32,-5.03,;27.03,-5.87,;27.11,-7.4,;25.82,-8.24,;25.9,-9.78,;27.27,-10.48,;24.61,-10.62,;25.66,-5.17,;26.5,-3.88,;24.37,-6.01,;23,-5.31,;22.92,-3.77,;24.21,-2.93,;24.29,-1.39,;25.78,-.99,;26.61,-2.29,;25.65,-3.48,;21.71,-6.15,;21.79,-7.68,;20.33,-5.45,;20.25,-3.91,;21.54,-3.07,;21.46,-1.53,;22.75,-.69,;24.28,-.45,;22.67,.84,;18.88,-3.21,;18.8,-1.67,;17.59,-4.05,;16.22,-3.35,;16.14,-1.81,;14.76,-1.11,;14.68,.42,;13.31,1.12,;13.23,2.66,;11.86,3.36,;14.52,3.5,;14.92,-4.19,;15.01,-5.73,;13.55,-3.49,;12.26,-4.33,;12.34,-5.87,;11.05,-6.71,;13.71,-6.57,;10.89,-3.63,;10.81,-2.09,;9.6,-4.47,;8.23,-3.77,;8.14,-2.23,;6.77,-1.53,;6.69,.01,;7.98,.84,;5.32,.7,;6.93,-4.61,;7.01,-6.15,;5.56,-3.91,;4.27,-4.75,;4.35,-6.29,;5.72,-6.98,;5.8,-8.52,;4.51,-9.36,;7.18,-9.22,;2.9,-4.05,;2.82,-2.51,;1.61,-4.89,;.23,-4.19,;.15,-2.65,;-1.22,-1.95,;-1.3,-.41,;-2.67,.29,;-2.75,1.82,;-4.12,2.52,;-1.46,2.66,;-1.06,-5.03,;-.98,-6.57,;-2.43,-4.33,;-3.72,-5.17,;-3.64,-6.71,;-2.27,-7.4,;-2.19,-8.94,;-.81,-9.64,;-.73,-11.18,;-5.09,-4.47,;-5.17,-2.93,;-6.38,-5.31,;-7.76,-4.61,;-7.84,-3.07,;-9.21,-2.37,;-9.29,-.83,;-8,.01,;-10.66,-.13,;-9.05,-5.45,;-8.97,-6.98,;-10.42,-4.75,;-11.71,-5.59,;-11.63,-7.12,;-12.92,-7.96,;-13.08,-4.89,;-13.16,-3.35,;-14.38,-5.73,;-15.75,-5.03,;-15.83,-3.49,;-17.2,-2.79,;-17.28,-1.25,;-18.65,-.55,;-18.73,.98,;-17.04,-5.87,;-16.96,-7.4,;-18.41,-5.17,;-19.7,-6.01,;-19.62,-7.54,;-18.25,-8.24,;-18.17,-9.78,;-16.8,-10.48,;-16.72,-12.02,;-21.08,-5.31,;-21.16,-3.77,;-22.37,-6.15,;-22.45,-7.68,;-23.93,-8.08,;-24.77,-6.79,;-23.8,-5.59,;-24.2,-4.11,;-23.11,-3.02,;-25.69,-3.71,;-26.89,-4.68,;-28.18,-3.84,;-27.78,-2.35,;-26.24,-2.27,;-25.4,-.98,;-23.87,-1.06,;-26.1,.39,;-25.26,1.68,;-23.73,1.6,;-25.96,3.06,;-27.5,3.14,;-25.13,4.35,;-25.82,5.72,;-27.36,5.8,;-28.2,4.51,;-29.74,4.59,;-30.58,3.3,;-32.12,3.38,;-24.99,7.01,;-23.45,6.93,;-25.69,8.38,;-24.85,9.68,;-23.31,9.6,;-22.47,10.89,;-23.17,12.26,;-20.93,10.81,;-25.55,11.05,;-27.08,11.13,;-24.71,12.34,;-25.41,13.71,;-26.94,13.79,;-27.64,15.16,;-29.18,15.24,;-29.88,16.62,;-30.02,13.95,;-24.57,15,;-23.03,14.92,;-25.27,16.38,;-26.79,16.62,;-27.03,18.14,;-25.66,18.84,;-24.57,17.75,;-23.05,17.99,;-22.08,16.79,;-22.5,19.43,;-20.97,19.67,;-20.42,21.11,;-21.39,22.3,;-22.91,22.06,;-23.88,23.26,;-23.33,24.7,;-24.3,25.89,;-21.81,24.94,;-20,18.47,;-20.56,17.03,;-18.48,18.71,)| Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-132(222)100(70-81(4)5)186-133(223)101(71-84-32-14-13-15-33-84)187-137(227)105(77-199)190-135(225)103(75-197)171-115(204)73-154)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(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,190,225)(H,191,222)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+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