Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 2004.2 BDBM50091683

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)	BDBM50091683 (CHEMBL438096 | N-alpha-Ac-[Trp24]PYY(22-36)-NH2(N-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)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](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C91H138N30O22/c1-44(2)33-63(113-81(136)65(36-51-22-26-55(126)27-23-51)115-83(138)67(38-53-41-101-43-106-53)117-78(133)59(18-13-31-103-90(97)98)109-82(137)66(37-52-40-105-57-16-11-10-15-56(52)57)116-86(141)69(42-122)119-75(130)47(7)107-49(9)124)80(135)118-68(39-71(93)128)84(139)114-64(34-45(3)4)85(140)120-72(46(5)6)87(142)121-73(48(8)123)88(143)111-60(19-14-32-104-91(99)100)76(131)110-61(28-29-70(92)127)79(134)108-58(17-12-30-102-89(95)96)77(132)112-62(74(94)129)35-50-20-24-54(125)25-21-50/h10-11,15-16,20-27,40-41,43-48,58-69,72-73,105,122-123,125-126H,12-14,17-19,28-39,42H2,1-9H3,(H2,92,127)(H2,93,128)(H2,94,129)(H,101,106)(H,107,124)(H,108,134)(H,109,137)(H,110,131)(H,111,143)(H,112,132)(H,113,136)(H,114,139)(H,115,138)(H,116,141)(H,117,133)(H,118,135)(H,119,130)(H,120,140)(H,121,142)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t47-,48+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,72-,73-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Cincinnati Medical Center Curated by ChEMBL					Assay Description Tested for the affinity for intestinal PYY from 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