BDBM50085430 (1S,4R,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)-8a-methyl-7-(1-methyl-allylidene)-6-oxo-1,2,3,4,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid::CHEMBL308870::CHEMBL76319

SMILES: CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)CC(=C(C)C=C)C(=O)C=C12

InChI Key: InChIKey=HUKHRFOKRJDBAD-OWCOQCCDSA-N

Data: 2 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 2 hits for monomerid = 50085430   

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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50085430 ((1S,4R,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)-8a...) Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)CC(=C(C)C=C)C(=O)C=C12 |w:23.23,t:29| Show InChI InChI=1S/C26H36O5/c1-7-9-10-16(3)13-18(5)25(30)31-23-12-11-20(24(28)29)26(6)15-19(17(4)8-2)22(27)14-21(23)26/h8,13-14,16,20,23H,2,7,9-12,15H2,1,3-6H3,(H,28,29)/b18-13+,19-17?/t16?,20-,23-,26-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 10: 235-8 (2000) BindingDB Entry DOI: 10.7270/Q2GB237J
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50085430 ((1S,4R,8aR)-4-((E)-2,4-Dimethyl-oct-2-enoyloxy)-8a...) Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)CC(=C(C)C=C)C(=O)C=C12 |w:23.23,t:29| Show InChI InChI=1S/C26H36O5/c1-7-9-10-16(3)13-18(5)25(30)31-23-12-11-20(24(28)29)26(6)15-19(17(4)8-2)22(27)14-21(23)26/h8,13-14,16,20,23H,2,7,9-12,15H2,1,3-6H3,(H,28,29)/b18-13+,19-17?/t16?,20-,23-,26-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 10: 235-8 (2000) BindingDB Entry DOI: 10.7270/Q2GB237J
					More data for this Ligand-Target Pair