BDBM50269172 CHEMBL4065752

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(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=OXBYSAIKLIIWLF-OIJLSCDASA-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 = 50269172   

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))	BDBM50269172 (CHEMBL4065752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(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| Show InChI InChI=1S/C83H137N29O19/c1-44(2)35-56(75(127)111-83(5,6)79(131)110-65(45(3)114)77(129)103-53(23-15-31-97-82(91)92)67(119)101-54(25-26-63(84)116)70(122)100-51(21-13-29-95-80(87)88)68(120)104-55(66(86)118)36-47-17-9-7-10-18-47)105-74(126)60(40-64(85)117)109-72(124)57(37-48-19-11-8-12-20-48)106-71(123)58(38-49-27-32-93-33-28-49)107-73(125)59(39-50-41-94-43-98-50)108-69(121)52(22-14-30-96-81(89)90)102-76(128)62-24-16-34-112(62)78(130)61(42-113)99-46(4)115/h27-28,32-33,41,43-45,47-48,51-62,65,113-114H,7-26,29-31,34-40,42H2,1-6H3,(H2,84,116)(H2,85,117)(H2,86,118)(H,94,98)(H,99,115)(H,100,122)(H,101,119)(H,102,128)(H,103,129)(H,104,120)(H,105,126)(H,106,123)(H,107,125)(H,108,121)(H,109,124)(H,110,131)(H,111,127)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)/t45-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62-,65+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human Y2 receptor expressed in CHO cell membranes after 120 mins by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 27: 3829-3832 (2017) Article DOI: 10.1016/j.bmcl.2017.06.055 BindingDB Entry DOI: 10.7270/Q2MK6GC2
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50269172 (CHEMBL4065752) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(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| Show InChI InChI=1S/C83H137N29O19/c1-44(2)35-56(75(127)111-83(5,6)79(131)110-65(45(3)114)77(129)103-53(23-15-31-97-82(91)92)67(119)101-54(25-26-63(84)116)70(122)100-51(21-13-29-95-80(87)88)68(120)104-55(66(86)118)36-47-17-9-7-10-18-47)105-74(126)60(40-64(85)117)109-72(124)57(37-48-19-11-8-12-20-48)106-71(123)58(38-49-27-32-93-33-28-49)107-73(125)59(39-50-41-94-43-98-50)108-69(121)52(22-14-30-96-81(89)90)102-76(128)62-24-16-34-112(62)78(130)61(42-113)99-46(4)115/h27-28,32-33,41,43-45,47-48,51-62,65,113-114H,7-26,29-31,34-40,42H2,1-6H3,(H2,84,116)(H2,85,117)(H2,86,118)(H,94,98)(H,99,115)(H,100,122)(H,101,119)(H,102,128)(H,103,129)(H,104,120)(H,105,126)(H,106,123)(H,107,125)(H,108,121)(H,109,124)(H,110,131)(H,111,127)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)/t45-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62-,65+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]peptide YY from human Y2 receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting analysis				Bioorg Med Chem Lett 27: 3829-3832 (2017) Article DOI: 10.1016/j.bmcl.2017.06.055 BindingDB Entry DOI: 10.7270/Q2MK6GC2
					More data for this Ligand-Target Pair