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SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=UFUARTAOWVUIOS-PAUUNSECSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50378802   
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
Segment polarity protein dishevelled homolog DVL-2


(Homo sapiens (Human))
BDBM50378802
PNG
(CHEMBL1222068)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C53H67N11O14/c1-3-28(2)46(52(76)63-42(53(77)78)24-45(69)70)64-51(75)40(22-31-26-57-37-13-7-5-11-34(31)37)59-43(66)27-58-48(72)39(20-29-15-17-32(65)18-16-29)61-50(74)41(23-44(67)68)62-49(73)38(14-8-9-19-54)60-47(71)35(55)21-30-25-56-36-12-6-4-10-33(30)36/h4-7,10-13,15-18,25-26,28,35,38-42,46,56-57,65H,3,8-9,14,19-24,27,54-55H2,1-2H3,(H,58,72)(H,59,66)(H,60,71)(H,61,74)(H,62,73)(H,63,76)(H,64,75)(H,67,68)(H,69,70)(H,77,78)/t28-,35-,38-,39-,40-,41-,42-,46-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity at Dvl2 PDZ domain after 15 mins by fluorescence polarization assay


Nat Chem Biol 5: 217-9 (2009)


Article DOI: 10.1038/nchembio.152
BindingDB Entry DOI: 10.7270/Q21N823P
More data for this
Ligand-Target Pair