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BDBM50413765 CHEMBL501579

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O

InChI Key: InChIKey=GYCUZIHFIHIAHM-UVTBRFMXSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50413765   
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))
BDBM50413765
PNG
(CHEMBL501579)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C56H70N10O10S2/c1-32(2)46(55(75)76)65-53(73)45-31-77-78-56(3,4)47(66-48(68)39(58)26-33-14-7-5-8-15-33)54(74)63-43(27-34-16-9-6-10-17-34)50(70)62-44(29-36-30-59-40-19-12-11-18-38(36)40)52(72)60-41(20-13-25-57)49(69)61-42(51(71)64-45)28-35-21-23-37(67)24-22-35/h5-12,14-19,21-24,30,32,39,41-47,59,67H,13,20,25-29,31,57-58H2,1-4H3,(H,60,72)(H,61,69)(H,62,70)(H,63,74)(H,64,71)(H,65,73)(H,66,68)(H,75,76)/t39-,41-,42-,43-,44+,45-,46-,47-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19.5n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


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