Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1895.3 BDBM50254309

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50254309 (CHEMBL4061596) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)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)NC(CC1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C86H151N29O19/c1-45(2)35-58(107-79(131)64(43-116)113-69(121)47(5)87)74(126)103-54(28-19-33-99-84(93)94)72(124)111-62(40-52-42-97-44-101-52)77(129)110-60(38-50-23-14-10-15-24-50)75(127)109-61(39-51-25-16-11-17-26-51)76(128)112-63(41-66(89)119)78(130)108-59(36-46(3)4)80(132)115-86(7,8)82(134)114-67(48(6)117)81(133)105-55(29-20-34-100-85(95)96)70(122)104-56(30-31-65(88)118)73(125)102-53(27-18-32-98-83(91)92)71(123)106-57(68(90)120)37-49-21-12-9-13-22-49/h42,44-51,53-64,67,116-117H,9-41,43,87H2,1-8H3,(H2,88,118)(H2,89,119)(H2,90,120)(H,97,101)(H,102,125)(H,103,126)(H,104,122)(H,105,133)(H,106,123)(H,107,131)(H,108,130)(H,109,127)(H,110,129)(H,111,124)(H,112,128)(H,113,121)(H,114,134)(H,115,132)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t47-,48+,53-,54-,55-,56-,57?,58-,59-,60?,61?,62+,63-,64-,67-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd., Fujisawa 251-8555, Japan. Curated by ChEMBL					Assay Description Displacement of [125I]-PYY from human Y2R expressed in CHO cell membranes after 60 mins by liquid scintillation method				ACS Med Chem Lett 8: 628-631 (2017) Article DOI: 10.1021/acsmedchemlett.7b00047 BindingDB Entry DOI: 10.7270/Q2W37ZS8
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50254309 (CHEMBL4061596) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)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)NC(CC1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C86H151N29O19/c1-45(2)35-58(107-79(131)64(43-116)113-69(121)47(5)87)74(126)103-54(28-19-33-99-84(93)94)72(124)111-62(40-52-42-97-44-101-52)77(129)110-60(38-50-23-14-10-15-24-50)75(127)109-61(39-51-25-16-11-17-26-51)76(128)112-63(41-66(89)119)78(130)108-59(36-46(3)4)80(132)115-86(7,8)82(134)114-67(48(6)117)81(133)105-55(29-20-34-100-85(95)96)70(122)104-56(30-31-65(88)118)73(125)102-53(27-18-32-98-83(91)92)71(123)106-57(68(90)120)37-49-21-12-9-13-22-49/h42,44-51,53-64,67,116-117H,9-41,43,87H2,1-8H3,(H2,88,118)(H2,89,119)(H2,90,120)(H,97,101)(H,102,125)(H,103,126)(H,104,122)(H,105,133)(H,106,123)(H,107,131)(H,108,130)(H,109,127)(H,110,129)(H,111,124)(H,112,128)(H,113,121)(H,114,134)(H,115,132)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t47-,48+,53-,54-,55-,56-,57?,58-,59-,60?,61?,62+,63-,64-,67-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.740	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd., Fujisawa 251-8555, Japan. Curated by ChEMBL					Assay Description Agonist activity at human Y2R expressed in CHO cell membranes assessed as [35S]GTPgammaS binding after 120 mins by liquid scintillation method				ACS Med Chem Lett 8: 628-631 (2017) Article DOI: 10.1021/acsmedchemlett.7b00047 BindingDB Entry DOI: 10.7270/Q2W37ZS8
					More data for this Ligand-Target Pair