BindingDB PrimarySearch

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SMILES: C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)Cc1cc(O)ccc1O

InChI Key: InChIKey=JSPUCPNQXKTYRO-LWILDLIXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50242257
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50242257 (2-((1R,2S,4aS)-1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...				J Nat Prod 79: 1842-7 (2016) Article DOI: 10.1021/acs.jnatprod.6b00367 BindingDB Entry DOI: 10.7270/Q20V8FRH
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50242257 (2-((1R,2S,4aS)-1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.50E+4	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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242257 (2-((1R,2S,4aS)-1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.86E+5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Biomolecolare (ICB) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins followed by substrate addition by Ellma...				Eur J Med Chem 122: 326-338 (2016) Article DOI: 10.1016/j.ejmech.2016.06.036 BindingDB Entry DOI: 10.7270/Q2QJ7K8X
Istituto di Chimica Biomolecolare (ICB) Curated by ChEMBL					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Chlorocebus aethiops)	BDBM50242257 (2-((1R,2S,4aS)-1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of African green monkey SOAT2 expressed in CHO cells using [1-14C]oleic acid incubated for 6 hrs by TLC based method				Bioorg Med Chem Lett 29: 2283-2285 (2019) Article DOI: 10.1016/j.bmcl.2019.06.026 BindingDB Entry DOI: 10.7270/Q2NK3JC2
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Chlorocebus aethiops)	BDBM50242257 (2-((1R,2S,4aS)-1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of African green monkey SOAT1 expressed in CHO cells using [1-14C]oleic acid incubated for 6 hrs by TLC based method				Bioorg Med Chem Lett 29: 2283-2285 (2019) Article DOI: 10.1016/j.bmcl.2019.06.026 BindingDB Entry DOI: 10.7270/Q2NK3JC2
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Cricetulus griseus)	BDBM50242257 (2-((1R,2S,4aS)-1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of SOAT1 in CHO cell microsomal fraction using [1-14C]oleoyl-CoA as substrate measured after 5 mins by TLC based method				Bioorg Med Chem Lett 29: 2283-2285 (2019) Article DOI: 10.1016/j.bmcl.2019.06.026 BindingDB Entry DOI: 10.7270/Q2NK3JC2
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50242257 (2-((1R,2S,4aS)-1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair