Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1905.2 BDBM50091678

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

Found 1 hit 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 (RAT)	BDBM50091678 (Ala-Ser-Leu-Arg-His-Phe-Leu-Asn-Leu-Val-Thr-Arg-Gl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(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](Cc1ccsc1)C(N)=O Show InChI InChI=1S/C84H137N29O20S/c1-41(2)30-56(107-79(131)62(38-114)111-68(120)45(9)99-47(11)116)73(125)101-52(21-16-27-96-83(90)91)71(123)109-60(35-50-37-94-40-98-50)76(128)108-59(33-48-18-13-12-14-19-48)75(127)105-57(31-42(3)4)74(126)110-61(36-64(86)118)77(129)106-58(32-43(5)6)78(130)112-65(44(7)8)80(132)113-66(46(10)115)81(133)103-53(22-17-28-97-84(92)93)69(121)102-54(23-24-63(85)117)72(124)100-51(20-15-26-95-82(88)89)70(122)104-55(67(87)119)34-49-25-29-134-39-49/h12-14,18-19,25,29,37,39-46,51-62,65-66,114-115H,15-17,20-24,26-28,30-36,38H2,1-11H3,(H2,85,117)(H2,86,118)(H2,87,119)(H,94,98)(H,99,116)(H,100,124)(H,101,125)(H,102,121)(H,103,133)(H,104,122)(H,105,127)(H,106,129)(H,107,131)(H,108,128)(H,109,123)(H,110,126)(H,111,120)(H,112,130)(H,113,132)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Cincinnati Medical Center Curated by ChEMBL					Assay Description Antisecretory potency, affinity for intestinal PYY of rat jejunum by using short circuit current (SCC) method.				J Med Chem 43: 3420-7 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WCX
					More data for this Ligand-Target Pair