BDBM50035612 CHEMBL96926::OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OXY]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER

SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC

InChI Key: InChIKey=IXFPJGBNCFXKPI-UHFFFAOYSA-N

Data: 1 KI  2 IC50  2 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 5 hits for monomerid = 50035612   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rabbit)	BDBM50035612 (OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rabbit)	BDBM50035612 (OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rabbit)	BDBM50035612 (OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rabbit)	BDBM50035612 (OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Human)	BDBM50035612 (OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair