BDBM50451003 CHEMBL4207076

SMILES: CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=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](CCCCN)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=HHRSXPZRDGLRCX-GFAMYJKASA-N

Data: 1 IC50  1 EC50

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 = 50451003   

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))	BDBM50451003 (CHEMBL4207076) Show SMILES CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=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](CCCCN)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| Show InChI InChI=1S/C81H140N28O19/c1-9-81(8,109-71(124)58(43-110)96-45(3)112)75(128)104-51(28-20-36-95-78(90)91)65(118)102-55(41-48-31-37-92-38-32-48)67(120)103-56(40-47-23-14-11-15-24-47)70(123)108-79(4,5)73(126)105-57(42-60(84)114)68(121)98-52(25-16-17-33-82)69(122)107-80(6,7)74(127)106-61(44(2)111)72(125)100-50(27-19-35-94-77(88)89)63(116)99-53(29-30-59(83)113)66(119)97-49(26-18-34-93-76(86)87)64(117)101-54(62(85)115)39-46-21-12-10-13-22-46/h31-32,37-38,44,46-47,49-58,61,110-111H,9-30,33-36,39-43,82H2,1-8H3,(H2,83,113)(H2,84,114)(H2,85,115)(H,96,112)(H,97,119)(H,98,121)(H,99,116)(H,100,125)(H,101,117)(H,102,118)(H,103,120)(H,104,128)(H,105,126)(H,106,127)(H,107,122)(H,108,123)(H,109,124)(H4,86,87,93)(H4,88,89,94)(H4,90,91,95)/t44-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,61+,81-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	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 based method				Bioorg Med Chem 25: 5718-5725 (2017) Article DOI: 10.1016/j.bmc.2017.08.044 BindingDB Entry DOI: 10.7270/Q23X8969
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50451003 (CHEMBL4207076) Show SMILES CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=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](CCCCN)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| Show InChI InChI=1S/C81H140N28O19/c1-9-81(8,109-71(124)58(43-110)96-45(3)112)75(128)104-51(28-20-36-95-78(90)91)65(118)102-55(41-48-31-37-92-38-32-48)67(120)103-56(40-47-23-14-11-15-24-47)70(123)108-79(4,5)73(126)105-57(42-60(84)114)68(121)98-52(25-16-17-33-82)69(122)107-80(6,7)74(127)106-61(44(2)111)72(125)100-50(27-19-35-94-77(88)89)63(116)99-53(29-30-59(83)113)66(119)97-49(26-18-34-93-76(86)87)64(117)101-54(62(85)115)39-46-21-12-10-13-22-46/h31-32,37-38,44,46-47,49-58,61,110-111H,9-30,33-36,39-43,82H2,1-8H3,(H2,83,113)(H2,84,114)(H2,85,115)(H,96,112)(H,97,119)(H,98,121)(H,99,116)(H,100,125)(H,101,117)(H,102,118)(H,103,120)(H,104,128)(H,105,126)(H,106,127)(H,107,122)(H,108,123)(H,109,124)(H4,86,87,93)(H4,88,89,94)(H4,90,91,95)/t44-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,61+,81-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human neuropeptide Y2 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 12...				Bioorg Med Chem 25: 5718-5725 (2017) Article DOI: 10.1016/j.bmc.2017.08.044 BindingDB Entry DOI: 10.7270/Q23X8969
					More data for this Ligand-Target Pair