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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TACR2' and Ligand = 'BDBM50001603'   
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
TACR2


(mouse)
BDBM50001603
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O
Show InChI InChI=1S/C41H59N7O6S/c1-28(2)25-34(38(52)45-31(36(43)50)18-24-55-3)47-23-20-41(40(47)54)19-12-22-48(41)39(53)33(27-30-15-8-5-9-16-30)46-37(51)32(26-29-13-6-4-7-14-29)44-35(49)17-10-11-21-42/h4-9,13-16,28,31-34H,10-12,17-27,42H2,1-3H3,(H2,43,50)(H,44,49)(H,45,52)(H,46,51)/t31-,32-,33-,34-,41+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.39E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair