BDBM50097550 CHEMBL3125412

SMILES: [H][C@@]12C[C@H](OC(=O)\C=C\c3ccccc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@@H](O)C[C@@H](C)[C@@]2(C)CCC(=C)C=C

InChI Key: InChIKey=QZVVOBQUUSRGEK-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 = 50097550   

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)	BDBM50097550 (CHEMBL3125412) Show SMILES [H][C@@]12C[C@H](OC(=O)\C=C\c3ccccc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@@H](O)C[C@@H](C)[C@@]2(C)CCC(=C)C=C |r,t:16| Show InChI InChI=1S/C21H16ClN3O2/c1-24-19-18(11-16(12-23-19)15-7-9-17(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	3.21E+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