null

SMILES: CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)C1CCNCC1)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)C(O)=O

InChI Key: InChIKey=UJEACCFINZYCAY-KELTXLTOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50460003   

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
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50460003 (CHEMBL4224835) Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)C1CCNCC1)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)C(O)=O |r,wU:117.121,147.152,167.172,56.57,63.64,92.95,19.18,28.29,70.72,wD:109.113,140.148,141.147,158.163,178.183,66.68,81.83,22.25,(51.58,-3.44,;50.25,-4.23,;48.91,-3.49,;47.58,-4.29,;46.24,-3.55,;44.92,-4.35,;43.56,-3.61,;42.23,-4.41,;40.89,-3.67,;39.55,-4.46,;38.21,-3.73,;36.88,-4.51,;35.54,-3.78,;34.23,-4.58,;32.88,-3.84,;31.53,-4.63,;31.58,-6.19,;30.19,-3.89,;28.87,-4.69,;27.51,-3.94,;26.21,-4.75,;24.85,-3.99,;24.82,-2.44,;26.15,-1.65,;27.49,-2.4,;23.47,-1.69,;23.45,-.14,;22.14,-2.48,;20.79,-1.73,;19.46,-2.52,;18.1,-1.77,;16.78,-2.57,;16.8,-4.11,;15.43,-1.81,;14.1,-2.61,;12.75,-1.85,;11.42,-2.65,;10.08,-1.89,;8.75,-2.69,;7.4,-1.94,;6.08,-2.73,;6.1,-4.27,;7.46,-5.01,;7.49,-6.57,;8.85,-7.31,;8.88,-8.86,;10.25,-9.6,;10.28,-11.15,;11.64,-11.9,;12.96,-11.09,;11.66,-13.44,;13.02,-14.18,;13.05,-15.73,;14.41,-16.48,;15.74,-15.68,;14.45,-18.01,;15.99,-18.14,;16.88,-16.89,;18.41,-17.04,;16.63,-19.54,;15.75,-20.8,;18.16,-19.69,;19.17,-18.53,;20.58,-19.14,;21.92,-18.36,;20.44,-20.67,;18.94,-21.01,;18.33,-22.42,;16.8,-22.6,;19.25,-23.65,;20.78,-23.47,;21.39,-22.06,;22.92,-21.88,;23.53,-20.47,;25.06,-20.29,;25.67,-18.88,;27.2,-18.7,;24.75,-17.64,;21.7,-24.72,;21.08,-26.13,;23.23,-24.55,;24.14,-25.78,;23.53,-27.19,;24.44,-28.44,;23.82,-29.84,;24.73,-31.08,;26.27,-30.91,;26.88,-29.49,;25.97,-28.25,;25.67,-25.61,;26.28,-24.2,;26.59,-26.85,;28.12,-26.67,;28.73,-25.26,;30.26,-25.09,;31.17,-26.33,;32.71,-26.16,;33.32,-24.75,;32.4,-23.51,;30.87,-23.67,;29.03,-27.91,;28.42,-29.33,;30.56,-27.73,;31.47,-28.97,;32.8,-28.19,;32.81,-29.73,;30.85,-30.39,;29.33,-30.56,;31.77,-31.63,;31.15,-33.04,;29.62,-33.21,;29,-34.62,;27.47,-34.79,;29.92,-35.86,;32.06,-34.28,;31.44,-35.69,;33.59,-34.11,;34.51,-35.35,;36.03,-35.18,;36.65,-33.77,;38.18,-33.6,;38.8,-32.19,;40.33,-32.02,;40.95,-30.61,;40.03,-29.37,;42.48,-30.44,;43.38,-31.68,;44.9,-31.51,;45.53,-30.11,;44.62,-28.86,;43.08,-29.03,;33.89,-36.76,;32.36,-36.93,;34.8,-38,;34.18,-39.41,;32.96,-40.34,;32.76,-38.81,;35.09,-40.65,;34.48,-42.06,;36.63,-40.49,;37.54,-41.72,;36.92,-43.14,;35.38,-43.3,;37.83,-44.38,;39.07,-41.56,;39.68,-40.14,;39.97,-42.8,;41.5,-42.63,;42.13,-41.23,;43.66,-41.06,;44.28,-39.65,;45.81,-39.49,;46.43,-38.08,;47.97,-37.91,;45.53,-36.84,;42.41,-43.88,;41.79,-45.29,;43.94,-43.71,;44.85,-44.96,;44.23,-46.36,;42.7,-46.53,;42.08,-47.94,;40.55,-48.1,;42.98,-49.18,;46.38,-44.79,;47.01,-43.38,;47.29,-46.03,;48.82,-45.87,;49.45,-44.46,;50.98,-44.3,;51.6,-42.89,;53.13,-42.72,;53.75,-41.31,;55.28,-41.15,;52.84,-40.07,;49.73,-47.11,;49.11,-48.52,;51.26,-46.95,;52.17,-48.19,;51.55,-49.6,;52.46,-50.84,;51.83,-52.24,;52.73,-53.48,;54.26,-53.32,;54.89,-51.92,;53.98,-50.66,;53.7,-48.03,;54.61,-49.27,;54.32,-46.62,;20.76,-.18,;22.1,.63,;19.41,.58,)| Show InChI InChI=1S/C128H221N33O31/c1-7-8-9-10-11-12-13-14-15-16-17-18-25-41-102(167)146-75-84-42-44-85(45-43-84)109(173)153-93(121(185)186)47-49-103(168)140-58-31-64-189-66-68-191-69-67-190-65-32-59-141-104(169)78-192-79-105(170)147-98(77-162)120(184)161-76-87(164)73-99(161)118(182)151-89(39-29-56-144-125(134)135)112(176)155-95(72-83-50-60-138-61-51-83)114(178)156-96(71-82-35-23-20-24-36-82)117(181)160-127(3,4)122(187)157-97(74-101(130)166)115(179)149-91(37-26-27-54-142-108(172)86-52-62-139-63-53-86)116(180)159-128(5,6)123(188)158-106(80(2)163)119(183)152-90(40-30-57-145-126(136)137)110(174)150-92(46-48-100(129)165)113(177)148-88(38-28-55-143-124(132)133)111(175)154-94(107(131)171)70-81-33-21-19-22-34-81/h50-51,60-61,80-82,84-99,106,139,162-164H,7-49,52-59,62-79H2,1-6H3,(H2,129,165)(H2,130,166)(H2,131,171)(H,140,168)(H,141,169)(H,142,172)(H,146,167)(H,147,170)(H,148,177)(H,149,179)(H,150,174)(H,151,182)(H,152,183)(H,153,173)(H,154,175)(H,155,176)(H,156,178)(H,157,187)(H,158,188)(H,159,180)(H,160,181)(H,185,186)(H4,132,133,143)(H4,134,135,144)(H4,136,137,145)/t80-,84-,85-,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99-,106+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount micro scintillation ...				Bioorg Med Chem 26: 566-572 (2018) Article DOI: 10.1016/j.bmc.2017.12.014 BindingDB Entry DOI: 10.7270/Q22B91N1
					More data for this Ligand-Target Pair