BindingDB PrimarySearch

BDBM50079577 (4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid::(4aS,6aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid::CHEMBL168::oleanolic acid

SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O

InChI Key: InChIKey=MIJYXULNPSFWEK-YOQSOQNOSA-N

Data: 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50079577
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
DNA polymerase beta (Rattus norvegicus)	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of rat DNA polymerase beta in presence of BSA				J Nat Prod 62: 1624-6 (2000) BindingDB Entry DOI: 10.7270/Q2V69JBZ
University of Virginia Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase beta (Rattus norvegicus)	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of rat DNA polymerase beta in absence of BSA				J Nat Prod 62: 1624-6 (2000) BindingDB Entry DOI: 10.7270/Q2V69JBZ
University of Virginia Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) 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 Similars	PubMed	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX2 by scintillation proximity assay				J Nat Prod 65: 1517-21 (2002) BindingDB Entry DOI: 10.7270/Q2DV1JNG
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1C (Homo sapiens (Human))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant SHP1				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College (Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine Curated by ChEMBL					Assay Description Inhibition of GST-tagged human PTP1B				J Nat Prod 72: 1620-6 (2009) Article DOI: 10.1021/np900305j BindingDB Entry DOI: 10.7270/Q2HT2PFD
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase alpha (Homo sapiens (Human))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant PTPalpha				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon (PTPε) (Homo sapiens (Human))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant PTPepsilon				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) by pNPP assay				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of TCPTP (unknown origin) by pNPP assay				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase assessed as release of phosphate from glucose-1-phosphate after 25 mins				J Nat Prod 72: 1414-8 (2009) Article DOI: 10.1021/np9002367 BindingDB Entry DOI: 10.7270/Q2B8587T
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR) (Homo sapiens (Human))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant LAR				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair