null

SMILES: CCCCCCCC(=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(N)=O

InChI Key: InChIKey=BXXNKYLVHRSGAM-XRHOXCPTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50422316   

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))	BDBM50422316 (CHEMBL2310888) Show SMILES CCCCCCCC(=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(N)=O |r,wU:178.182,185.190,97.99,45.45,11.11,151.153,26.25,58.59,166.168,77.79,113.115,133.135,15.17,wD:54.56,67.68,37.37,104.106,157.159,142.144,86.88,122.124,189.194,(52.08,.51,;50.93,-.52,;49.47,-.04,;48.32,-1.07,;46.86,-.6,;45.72,-1.63,;44.25,-1.15,;43.11,-2.18,;43.43,-3.69,;41.64,-1.71,;40.5,-2.74,;39.03,-2.26,;38.71,-.75,;37.25,-.28,;36.1,-1.31,;36.93,1.23,;38.07,2.26,;39.54,1.78,;35.46,1.7,;35.14,3.21,;36.29,4.24,;33.68,3.69,;33.36,5.19,;37.89,-3.29,;38.21,-4.8,;36.42,-2.82,;35.28,-3.85,;35.6,-5.35,;34.45,-6.38,;32.99,-5.91,;31.85,-6.94,;32.17,-8.44,;33.63,-8.92,;34.77,-7.89,;33.81,-3.37,;33.49,-1.86,;32.67,-4.4,;31.21,-3.92,;30.89,-2.42,;29.42,-1.94,;28.28,-2.97,;29.1,-.44,;30.06,-4.95,;30.38,-6.46,;28.6,-4.48,;27.45,-5.51,;27.77,-7.02,;26.63,-8.05,;25.99,-5.03,;24.84,-6.06,;25.67,-3.53,;26.7,-2.38,;25.93,-1.05,;24.42,-1.37,;24.26,-2.9,;22.93,-3.67,;22.93,-5.21,;21.59,-2.9,;20.26,-3.67,;20.26,-5.21,;18.93,-5.98,;18.93,-7.52,;17.59,-8.29,;20.26,-8.29,;18.93,-2.9,;18.93,-1.36,;17.59,-3.67,;16.26,-2.9,;16.26,-1.36,;14.92,-.59,;13.52,-1.22,;12.49,-.07,;13.26,1.26,;14.76,.94,;14.92,-3.67,;14.92,-5.21,;13.59,-2.9,;12.26,-3.67,;12.26,-5.21,;13.59,-5.98,;13.59,-7.52,;12.26,-8.29,;14.92,-8.29,;10.92,-2.9,;10.92,-1.36,;9.59,-3.67,;8.26,-2.9,;8.26,-1.36,;6.92,-.59,;6.92,.95,;8.26,1.72,;8.26,3.26,;9.59,4.03,;6.92,4.03,;6.92,-3.67,;6.92,-5.21,;5.59,-2.9,;4.25,-3.67,;4.25,-5.21,;2.92,-5.98,;5.59,-5.98,;2.92,-2.9,;2.92,-1.36,;1.59,-3.67,;.25,-2.9,;.25,-1.36,;-1.08,-.59,;-1.08,.95,;.25,1.72,;-2.41,1.72,;-1.08,-3.67,;-1.08,-5.21,;-2.41,-2.9,;-3.75,-3.67,;-3.75,-5.21,;-2.41,-5.98,;-2.41,-7.52,;-3.75,-8.29,;-1.08,-8.29,;-5.08,-2.9,;-5.08,-1.36,;-6.41,-3.67,;-7.75,-2.9,;-7.75,-1.36,;-9.08,-.59,;-9.08,.95,;-10.42,1.72,;-10.42,3.26,;-11.75,4.03,;-9.08,4.03,;-9.08,-3.67,;-9.08,-5.21,;-10.42,-2.9,;-11.75,-3.67,;-11.75,-5.21,;-10.42,-5.98,;-10.42,-7.52,;-9.08,-8.29,;-9.08,-9.83,;-13.08,-2.9,;-13.08,-1.36,;-14.42,-3.67,;-15.75,-2.9,;-15.75,-1.36,;-17.08,-.59,;-17.08,.95,;-15.75,1.72,;-18.42,1.72,;-17.08,-3.67,;-17.08,-5.21,;-18.42,-2.9,;-19.75,-3.67,;-19.75,-5.21,;-21.09,-5.98,;-21.09,-2.9,;-21.09,-1.36,;-22.42,-3.67,;-23.75,-2.9,;-23.75,-1.36,;-25.09,-.59,;-25.09,.95,;-26.42,1.72,;-26.42,3.26,;-25.09,-3.67,;-25.09,-5.21,;-26.42,-2.9,;-27.75,-3.67,;-27.75,-5.21,;-26.42,-5.98,;-26.42,-7.52,;-25.09,-8.29,;-25.09,-9.83,;-29.09,-2.9,;-29.09,-1.36,;-30.42,-3.67,;-30.58,-5.2,;-32.09,-5.52,;-32.86,-4.19,;-31.83,-3.04,;-32.15,-1.54,;-31,-.51,;-33.61,-1.06,;-34.86,-1.97,;-36.1,-1.06,;-35.63,.4,;-34.09,.4,;-33.18,1.65,;-31.65,1.49,;-33.81,3.06,;-32.9,4.3,;-31.37,4.14,;-33.53,5.71,;-35.06,5.87,;-32.63,6.95,)| Show InChI InChI=1S/C121H200N38O35/c1-7-8-9-10-14-36-96(171)194-63-86(155-111(185)83(60-160)139-93(166)58-125)113(187)151-81(56-68-26-12-11-13-27-68)109(183)150-80(55-65(2)3)108(182)154-85(62-162)118(192)157-52-23-34-88(157)115(189)147-78(41-46-95(169)170)105(179)152-82(57-69-59-134-64-137-69)110(184)146-75(38-43-91(127)164)103(177)142-73(32-22-51-136-121(132)133)107(181)156-97(66(4)5)116(190)148-76(39-44-92(128)165)104(178)144-74(37-42-90(126)163)102(176)141-72(31-21-50-135-120(130)131)100(174)140-70(28-15-18-47-122)99(173)145-77(40-45-94(167)168)106(180)153-84(61-161)112(186)143-71(29-16-19-48-123)101(175)149-79(30-17-20-49-124)117(191)159-54-25-35-89(159)119(193)158-53-24-33-87(158)114(188)138-67(6)98(129)172/h11-13,26-27,59,64-67,70-89,97,160-162H,7-10,14-25,28-58,60-63,122-125H2,1-6H3,(H2,126,163)(H2,127,164)(H2,128,165)(H2,129,172)(H,134,137)(H,138,188)(H,139,166)(H,140,174)(H,141,176)(H,142,177)(H,143,186)(H,144,178)(H,145,173)(H,146,184)(H,147,189)(H,148,190)(H,149,175)(H,150,183)(H,151,187)(H,152,179)(H,153,180)(H,154,182)(H,155,185)(H,156,181)(H,167,168)(H,169,170)(H4,130,131,135)(H4,132,133,136)/t67-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,97-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	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