BDBM50276581 (+/-)-wiedendiol B::CHEMBL456619

SMILES: COc1ccc(O)c(O)c1\C=C1/[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C

InChI Key: InChIKey=SJKXQWZJYOQHJG-PBCMMTHMSA-N

Data: 4 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 4 hits for monomerid = 50276581   

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
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50276581 ((+/-)-wiedendiol B | CHEMBL456619) Show SMILES COc1ccc(O)c(O)c1\C=C1/[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C |r| Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-18(25-5)9-8-17(23)20(15)24/h8-9,13-14,19,23-24H,6-7,10-12H2,1-5H3/b16-13+/t14-,19-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50276581 ((+/-)-wiedendiol B | CHEMBL456619) Show SMILES COc1ccc(O)c(O)c1\C=C1/[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C |r| Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-18(25-5)9-8-17(23)20(15)24/h8-9,13-14,19,23-24H,6-7,10-12H2,1-5H3/b16-13+/t14-,19-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for CETP inhibition by a precipitation method to separate lipoproteins after incubation of radiolabeled HDL with LDL and CETP.				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50276581 ((+/-)-wiedendiol B | CHEMBL456619) Show SMILES COc1ccc(O)c(O)c1\C=C1/[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C |r| Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-18(25-5)9-8-17(23)20(15)24/h8-9,13-14,19,23-24H,6-7,10-12H2,1-5H3/b16-13+/t14-,19-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cholesterol ester transfer protein (CETP)				Bioorg Med Chem Lett 5: 2005-2010 (1995) Article DOI: 10.1016/0960-894X(95)00342-Q BindingDB Entry DOI: 10.7270/Q2F47P39
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50276581 ((+/-)-wiedendiol B | CHEMBL456619) Show SMILES COc1ccc(O)c(O)c1\C=C1/[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C |r| Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-18(25-5)9-8-17(23)20(15)24/h8-9,13-14,19,23-24H,6-7,10-12H2,1-5H3/b16-13+/t14-,19-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bayreuth Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Bioorg Med Chem 17: 1422-7 (2009) Article DOI: 10.1016/j.bmc.2009.01.028 BindingDB Entry DOI: 10.7270/Q25B02BX
					More data for this Ligand-Target Pair