BDBM50269631 CHEMBL456092::kutdtriol

SMILES: C[C@](O)(CO)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@]2(O)C1

InChI Key: InChIKey=UJAAZUOEEYZOLC-APIJFGDWSA-N

Data: 1 IC50

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 = 50269631   

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
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50269631 (CHEMBL456092 | kutdtriol) Show SMILES C[C@](O)(CO)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@]2(O)C1 |r| Show InChI InChI=1S/C15H26O3/c1-11-5-4-7-13(2)8-6-12(9-15(11,13)18)14(3,17)10-16/h12,16-18H,1,4-10H2,2-3H3/t12-,13-,14+,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5
					More data for this Ligand-Target Pair