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BDBM50434805 ECHINOCYSTIC ACID

SMILES: CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]2C1)C(O)=O

InChI Key: InChIKey=YKOPWPOFWMYZJZ-CKZNXEFDNA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50434805   
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
CD81 antigen


(Homo sapiens (Human))
BDBM50434805
PNG
(ECHINOCYSTIC ACID)
Show SMILES CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]2C1)C(O)=O
Show InChI InChI=1/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27+,28-,29-,30-/s2
PDB
MMDB

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Similars

Article
PubMed
n/an/an/a 21n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to CD81 (unknown origin)


J Med Chem 56: 4300-19 (2013)


Article DOI: 10.1021/jm301910a
BindingDB Entry DOI: 10.7270/Q2862HVB
More data for this
Ligand-Target Pair