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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 50048696   
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
UTS2R


(RAT)
BDBM50048696
PNG
(CHEMBL3315142)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C56H70N10O11S2/c1-31(2)46(55(76)77)65-53(74)44-30-78-79-56(3,4)47(66-48(69)38(58)28-45(67)68)54(75)63-41(25-32-15-6-5-7-16-32)50(71)62-43(27-35-29-59-39-22-11-10-21-37(35)39)51(72)60-40(23-12-13-24-57)49(70)61-42(52(73)64-44)26-34-19-14-18-33-17-8-9-20-36(33)34/h5-11,14-22,29,31,38,40-44,46-47,59H,12-13,23-28,30,57-58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,75)(H,64,73)(H,65,74)(H,66,69)(H,67,68)(H,76,77)/t38-,40-,41-,42-,43-,44-,46-,47+/s2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5n/an/an/an/a



University of Naples"Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at UT receptor in rat aorta assessed as contraction


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair