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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UTS2R' and Ligand = 'BDBM50413766'   
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)
BDBM50413766
PNG
(CHEMBL510618)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)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](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H71ClN10O10S2/c1-32(2)47(56(77)78)67-54(75)46-31-79-80-57(3,4)48(68-49(70)40(60)26-34-17-21-37(58)22-18-34)55(76)65-44(27-33-12-6-5-7-13-33)51(72)64-45(29-36-30-61-41-15-9-8-14-39(36)41)53(74)62-42(16-10-11-25-59)50(71)63-43(52(73)66-46)28-35-19-23-38(69)24-20-35/h5-9,12-15,17-24,30,32,40,42-48,61,69H,10-11,16,25-29,31,59-60H2,1-4H3,(H,62,74)(H,63,71)(H,64,72)(H,65,76)(H,66,73)(H,67,75)(H,68,70)(H,77,78)/t40-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.38n/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Agonist activity at UT2 receptor in Albino rat aorta assessed as induction of aortic contraction


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair