BDBM50097552 CHEMBL3125415

SMILES: [H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)CCC1=CCOOC1)OC(=O)\C=C\c1ccccc1

InChI Key: InChIKey=WBEKXKJDHDOZRN-UHFFFAOYSA-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 = 50097552   

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
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase (Oryctolagus cuniculus)	BDBM50097552 (CHEMBL3125415) Show SMILES [H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)CCC1=CCOOC1)OC(=O)\C=C\c1ccccc1 |r,t:5,30| Show InChI InChI=1S/C21H16FN3O2/c1-24-19-18(17(11-12-23-19)15-7-9-16(22)10-8-15)20(26)25(21(24)27)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a
Albert Ludwigs University Freiburg Curated by ChEMBL					Assay Description Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...				J Nat Prod 78: 1262-70 (2015) Article DOI: 10.1021/acs.jnatprod.5b00062 BindingDB Entry DOI: 10.7270/Q2833TR2
					More data for this Ligand-Target Pair