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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1109.3
BDBM50034120

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)
BDBM50034120
PNG
(Asn-Leu-Ile-Tyr-Arg-Leu-Arg-Tyr-NH2 | CHEMBL428097)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C52H84N16O11/c1-7-29(6)42(68-49(78)39(23-28(4)5)65-44(73)34(53)26-41(54)71)50(79)67-40(25-31-14-18-33(70)19-15-31)48(77)63-36(11-9-21-61-52(58)59)46(75)66-38(22-27(2)3)47(76)62-35(10-8-20-60-51(56)57)45(74)64-37(43(55)72)24-30-12-16-32(69)17-13-30/h12-19,27-29,34-40,42,69-70H,7-11,20-26,53H2,1-6H3,(H2,54,71)(H2,55,72)(H,62,76)(H,63,77)(H,64,74)(H,65,73)(H,66,75)(H,67,79)(H,68,78)(H4,56,57,60)(H4,58,59,61)/t29-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 310n/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