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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1167.3
BDBM50034117

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

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuropeptide Y receptor type 2


(RAT)
BDBM50034117
PNG
(CHEMBL406275 | Tyr-Ile-Asn-Leu-Ile-Thr-Arg-Leu-Tyr...)
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]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C56H90N14O13/c1-10-30(7)44(68-48(76)37(57)25-33-14-18-35(72)19-15-33)53(81)67-42(27-43(58)74)51(79)66-41(24-29(5)6)52(80)69-45(31(8)11-2)54(82)70-46(32(9)71)55(83)63-38(13-12-22-62-56(60)61)49(77)65-40(23-28(3)4)50(78)64-39(47(59)75)26-34-16-20-36(73)21-17-34/h14-21,28-32,37-42,44-46,71-73H,10-13,22-27,57H2,1-9H3,(H2,58,74)(H2,59,75)(H,63,83)(H,64,78)(H,65,77)(H,66,79)(H,67,81)(H,68,76)(H,69,80)(H,70,82)(H4,60,61,62)/t30-,31-,32+,37-,38-,39-,40-,41-,42-,44-,45-,46-/m0/s1
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.10E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair