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BDBM50252354 CHEMBL517991::N-((S)-1-((S)-1-((R)-3-bromo-4-((R)-pyrrolidin-3-yloxy)phenethyl)pyrrolidin-3-ylamino)-4-methyl-1-oxopentan-2-yl)benzo[b]thiophene-2-carboxamide

SMILES: CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(CCc2ccc(O[C@@H]3CCNC3)c(Br)c2)C1

InChI Key: InChIKey=XSZRNBWOUMLAEQ-GSLIJJQTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252354   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urotensin II receptor


(Homo sapiens (Human))
BDBM50252354
PNG
(CHEMBL517991 | N-((S)-1-((S)-1-((R)-3-bromo-4-((R)...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(CCc2ccc(O[C@@H]3CCNC3)c(Br)c2)C1 |r|
Show InChI InChI=1S/C31H39BrN4O3S/c1-20(2)15-26(35-31(38)29-17-22-5-3-4-6-28(22)40-29)30(37)34-23-11-14-36(19-23)13-10-21-7-8-27(25(32)16-21)39-24-9-12-33-18-24/h3-8,16-17,20,23-24,26,33H,9-15,18-19H2,1-2H3,(H,34,37)(H,35,38)/t23-,24+,26-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobiliz...


Bioorg Med Chem Lett 18: 3950-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.019
BindingDB Entry DOI: 10.7270/Q2FT8KTR
More data for this
Ligand-Target Pair