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BDBM50438364 CHEMBL2408939

SMILES: COC(=O)c1c(O)ccc(O)c1C(=O)c1c(O)cc2C[C@@]34CC=C(C(=O)C3C(=O)c3c(O)cc(C)cc3[C@@H]4OC(C)=O)c2c1O

InChI Key: InChIKey=JKUPOAXVGKBMPF-DOYOSXNKSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50438364   
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
Calmodulin


(Bos taurus)		BDBM50438364
PNG
(CHEMBL2408939)
Show SMILES COC(=O)c1c(O)ccc(O)c1C(=O)c1c(O)cc2C[C@@]34CC=C(C(=O)C3C(=O)c3c(O)cc(C)cc3[C@@H]4OC(C)=O)c2c1O |r,c:23|
Show InChI InChI=1S/C33H26O12/c1-12-8-16-22(19(37)9-12)30(42)26-27(39)15-6-7-33(26,31(16)45-13(2)34)11-14-10-20(38)25(28(40)21(14)15)29(41)23-17(35)4-5-18(36)24(23)32(43)44-3/h4-6,8-10,26,31,35-38,40H,7,11H2,1-3H3/t26?,31-,33-/m0/s1
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MMDB

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n/an/an/a 19n/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Binding affinity to human calmodulin expressed in Escherichia coli using M124C-mBBr fluorescent biosensor by spectrofluorometer analysis

J Nat Prod 76: 1454-60 (2013)


Article DOI: 10.1021/np4002477
BindingDB Entry DOI: 10.7270/Q2639R4T
More data for this
Ligand-Target Pair