BDBM50438365 CHEMBL2408940

SMILES: COC(=O)[C@@]12Oc3c(C(=O)C1C(=O)C=C[C@H]2O)c(O)cc1C[C@@]24CC=C(C(=O)C2C(=O)c2c(O)cc(C)cc2[C@@H]4OC(C)=O)c31

InChI Key: InChIKey=MZHQFUMSEGPVEW-QXMOYOHZSA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50438365   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Calmodulin (Bos taurus)	BDBM50438365 (CHEMBL2408940) Show SMILES COC(=O)[C@@]12Oc3c(C(=O)C1C(=O)C=C[C@H]2O)c(O)cc1C[C@@]24CC=C(C(=O)C2C(=O)c2c(O)cc(C)cc2[C@@H]4OC(C)=O)c31 |r,c:14,26| Show InChI InChI=1S/C33H26O12/c1-12-8-16-22(18(36)9-12)27(40)25-26(39)15-6-7-32(25,30(16)44-13(2)34)11-14-10-19(37)23-28(41)24-17(35)4-5-20(38)33(24,31(42)43-3)45-29(23)21(14)15/h4-6,8-10,20,24-25,30,36-38H,7,11H2,1-3H3/t20-,24?,25?,30+,32+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/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