BDBM50269170 CHEMBL4097195

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(N)=O)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=XOKVVRKRPUTKMJ-KHANNAGBSA-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 = 50269170   

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))	BDBM50269170 (CHEMBL4097195) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(N)=O)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/C83H145N27O20/c1-44(2)38-56(75(126)109-83(5,6)79(130)108-65(45(3)112)77(128)102-52(28-18-36-96-82(92)93)68(119)99-53(30-32-62(84)114)70(121)98-50(26-16-34-94-80(88)89)69(120)103-55(66(87)117)39-47-20-10-7-11-21-47)104-74(125)59(42-64(86)116)107-73(124)58(41-49-24-14-9-15-25-49)106-72(123)57(40-48-22-12-8-13-23-48)105-71(122)54(31-33-63(85)115)100-67(118)51(27-17-35-95-81(90)91)101-76(127)61-29-19-37-110(61)78(129)60(43-111)97-46(4)113/h44-45,47-61,65,111-112H,7-43H2,1-6H3,(H2,84,114)(H2,85,115)(H2,86,116)(H2,87,117)(H,97,113)(H,98,121)(H,99,119)(H,100,118)(H,101,127)(H,102,128)(H,103,120)(H,104,125)(H,105,122)(H,106,123)(H,107,124)(H,108,130)(H,109,126)(H4,88,89,94)(H4,90,91,95)(H4,92,93,96)/t45-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,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	0.420	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))	BDBM50269170 (CHEMBL4097195) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(N)=O)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/C83H145N27O20/c1-44(2)38-56(75(126)109-83(5,6)79(130)108-65(45(3)112)77(128)102-52(28-18-36-96-82(92)93)68(119)99-53(30-32-62(84)114)70(121)98-50(26-16-34-94-80(88)89)69(120)103-55(66(87)117)39-47-20-10-7-11-21-47)104-74(125)59(42-64(86)116)107-73(124)58(41-49-24-14-9-15-25-49)106-72(123)57(40-48-22-12-8-13-23-48)105-71(122)54(31-33-63(85)115)100-67(118)51(27-17-35-95-81(90)91)101-76(127)61-29-19-37-110(61)78(129)60(43-111)97-46(4)113/h44-45,47-61,65,111-112H,7-43H2,1-6H3,(H2,84,114)(H2,85,115)(H2,86,116)(H2,87,117)(H,97,113)(H,98,121)(H,99,119)(H,100,118)(H,101,127)(H,102,128)(H,103,120)(H,104,125)(H,105,122)(H,106,123)(H,107,124)(H,108,130)(H,109,126)(H4,88,89,94)(H4,90,91,95)(H4,92,93,96)/t45-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,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	1.10	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