Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1369.6 BDBM50034112

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)	BDBM50034112 (CHEMBL269544 | Tyr-Ile-Asn-Leu-Leu-Tyr-Arg-Pro-Arg...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C66H100N18O14/c1-7-37(6)54(83-56(90)44(67)31-38-14-20-41(85)21-15-38)63(97)82-51(34-53(68)88)61(95)80-48(29-35(2)3)58(92)79-49(30-36(4)5)59(93)81-50(33-40-18-24-43(87)25-19-40)60(94)77-46(12-9-27-75-66(72)73)64(98)84-28-10-13-52(84)62(96)76-45(11-8-26-74-65(70)71)57(91)78-47(55(69)89)32-39-16-22-42(86)23-17-39/h14-25,35-37,44-52,54,85-87H,7-13,26-34,67H2,1-6H3,(H2,68,88)(H2,69,89)(H,76,96)(H,77,94)(H,78,91)(H,79,92)(H,80,95)(H,81,93)(H,82,97)(H,83,90)(H4,70,71,74)(H4,72,73,75)/t37-,44-,45-,46-,47-,48-,49-,50-,51-,52-,54-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description 50% displacement of specifically bound [3H]-NPY2 from rat brain membranes.				J Med Chem 38: 1150-7 (1995) BindingDB Entry DOI: 10.7270/Q2513X8D
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