BDBM50460000 CHEMBL4224865

SMILES: CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)CC1)C(O)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(C)=O)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

InChI Key: InChIKey=HDYYJHVBUIOTHM-DWCOTTCPSA-N

Data: 1 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 1 hit for monomerid = 50460000   

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))	BDBM50460000 (CHEMBL4224865) Show SMILES CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)CC1)C(O)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(C)=O)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 |r,wU:108.112,125.129,150.154,170.174,2.1,15.16,9.9,97.100,52.53,45.45,wD:117.121,143.150,144.149,161.165,181.185,7.6,86.88,49.49,(19.88,-20.9,;18.65,-21.84,;18.85,-23.36,;20.08,-22.42,;17.33,-23.54,;16.41,-22.31,;14.88,-22.49,;17.02,-20.9,;18.52,-20.56,;18.66,-19.03,;19.99,-18.25,;17.25,-18.42,;16.24,-19.58,;14.71,-19.43,;13.83,-20.69,;14.06,-18.04,;14.95,-16.78,;16.49,-16.93,;12.53,-17.9,;12.49,-16.37,;13.82,-15.57,;11.13,-15.62,;11.1,-14.07,;9.74,-13.33,;9.72,-11.79,;11.04,-10.98,;8.35,-11.04,;8.32,-9.49,;6.96,-8.75,;6.93,-7.2,;5.57,-6.46,;5.54,-4.91,;4.18,-4.16,;4.15,-2.62,;5.48,-1.83,;6.83,-2.58,;8.16,-1.78,;9.5,-2.54,;10.83,-1.74,;12.18,-2.5,;13.51,-1.7,;14.85,-2.46,;14.88,-4,;16.18,-1.66,;17.54,-2.42,;18.87,-1.62,;20.22,-2.38,;21.55,-1.58,;21.52,-.03,;22.9,-2.34,;22.93,-3.89,;24.28,-4.64,;25.59,-3.83,;26.95,-4.58,;28.27,-3.78,;29.61,-4.52,;29.66,-6.08,;30.96,-3.74,;32.3,-4.47,;33.62,-3.67,;34.96,-4.4,;36.29,-3.62,;37.63,-4.35,;38.97,-3.56,;40.31,-4.3,;41.64,-3.5,;42.99,-4.24,;44.32,-3.44,;45.65,-4.19,;46.98,-3.39,;48.33,-4.13,;49.66,-3.33,;51.02,-4.05,;52.33,-3.26,;53.67,-3.99,;55,-3.19,;56.34,-3.92,;54.96,-1.65,;25.57,-2.29,;24.23,-1.54,;18.84,-.07,;20.17,.74,;17.49,.68,;19.77,-24.61,;19.16,-26.02,;21.31,-24.44,;22.22,-25.67,;21.61,-27.08,;22.52,-28.33,;21.9,-29.73,;22.81,-30.97,;24.35,-30.8,;24.96,-29.38,;24.04,-28.14,;23.75,-25.5,;24.36,-24.09,;24.67,-26.74,;26.19,-26.56,;26.81,-25.15,;28.34,-24.98,;29.25,-26.22,;30.79,-26.05,;31.4,-24.64,;30.48,-23.4,;28.95,-23.56,;27.11,-27.8,;26.5,-29.22,;28.64,-27.63,;29.55,-28.87,;31.08,-28.7,;31.99,-29.95,;33.52,-29.78,;31.37,-31.35,;32.91,-31.18,;28.93,-30.28,;27.41,-30.45,;29.85,-31.52,;29.23,-32.93,;27.69,-33.1,;27.08,-34.51,;25.55,-34.68,;27.99,-35.75,;30.14,-34.17,;29.52,-35.58,;31.67,-34,;32.58,-35.24,;34.11,-35.07,;34.73,-33.66,;36.26,-33.49,;36.88,-32.08,;38.41,-31.91,;39.02,-30.5,;40.55,-30.33,;38.11,-29.26,;31.97,-36.65,;30.44,-36.82,;32.88,-37.89,;32.26,-39.3,;31.03,-40.23,;30.84,-38.7,;33.17,-40.54,;32.55,-41.95,;34.7,-40.38,;35.62,-41.61,;35,-43.03,;33.46,-43.19,;35.91,-44.27,;37.14,-41.45,;37.76,-40.03,;38.05,-42.69,;39.58,-42.52,;40.21,-41.12,;41.74,-40.95,;42.36,-39.54,;43.89,-39.38,;44.51,-37.97,;46.04,-37.8,;43.6,-36.73,;40.49,-43.77,;39.87,-45.18,;42.02,-43.6,;42.93,-44.85,;42.31,-46.25,;40.78,-46.42,;40.15,-47.83,;38.62,-47.99,;41.06,-49.07,;44.46,-44.68,;45.08,-43.27,;45.37,-45.92,;46.9,-45.76,;47.52,-44.35,;49.05,-44.19,;49.68,-42.78,;51.21,-42.61,;51.83,-41.2,;53.36,-41.04,;50.92,-39.96,;47.81,-47,;47.19,-48.41,;49.34,-46.84,;50.25,-48.08,;49.63,-49.49,;50.53,-50.73,;49.91,-52.13,;50.81,-53.37,;52.34,-53.21,;52.97,-51.81,;52.06,-50.55,;51.78,-47.92,;52.69,-49.16,;52.4,-46.51,)| Show InChI InChI=1S/C130H223N29O33/c1-10-130(9,158-120(182)101-74-89(163)78-159(101)122(184)100(79-160)145-107(169)81-192-80-106(168)141-62-38-66-190-68-70-191-69-67-189-65-37-61-140-105(167)55-53-94(123(185)186)150-111(173)88-50-48-87(49-51-88)77-144-104(166)46-31-23-21-19-17-15-13-11-12-14-16-18-20-22-24-32-47-108(170)171)125(188)155-97(73-86-56-63-138-64-57-86)116(178)152-96(72-85-41-29-26-30-42-85)115(177)154-99(76-128(4,5)6)118(180)153-98(75-103(132)165)117(179)147-92(43-33-34-58-139-83(3)162)119(181)157-129(7,8)124(187)156-109(82(2)161)121(183)149-91(45-36-60-143-127(136)137)112(174)148-93(52-54-102(131)164)114(176)146-90(44-35-59-142-126(134)135)113(175)151-95(110(133)172)71-84-39-27-25-28-40-84/h56-57,63-64,82,84-85,87-101,109,160-161,163H,10-55,58-62,65-81H2,1-9H3,(H2,131,164)(H2,132,165)(H2,133,172)(H,139,162)(H,140,167)(H,141,168)(H,144,166)(H,145,169)(H,146,176)(H,147,179)(H,148,174)(H,149,183)(H,150,173)(H,151,175)(H,152,178)(H,153,180)(H,154,177)(H,155,188)(H,156,187)(H,157,181)(H,158,182)(H,170,171)(H,185,186)(H4,134,135,142)(H4,136,137,143)/t82-,87-,88-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101-,109+,130+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	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