BindingDB PrimarySearch

BDBM50366237 GAMBOGIC ACID

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8][C@@]45[#6@H]6-[#6]-[#6@@H](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](=O)[C@]5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6]

InChI Key: InChIKey=GEZHEQNLKAOMCA-RRZNCOCZSA-N

Data: 4 KI 4 IC50 3 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50366237
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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate by Dixon plot analysis				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Thioredoxin, mitochondrial (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant TRX-2 up to 60 mins by insulin reduction assay				J Nat Prod 75: 1108-16 (2012) Article DOI: 10.1021/np300118c BindingDB Entry DOI: 10.7270/Q2NG4RS8
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Thioredoxin (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant TRX-1 up to 60 mins by insulin reduction assay				J Nat Prod 75: 1108-16 (2012) Article DOI: 10.1021/np300118c BindingDB Entry DOI: 10.7270/Q2NG4RS8
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 6x-His tagged human recombinant full length Hsp90alpha ATPase preincubated for 0.5 hrs followed by ATP addition measured after 30 mins ...				Bioorg Med Chem 24: 4626-4635 (2016) Article DOI: 10.1016/j.bmc.2016.07.067
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to human Hsp90 N-terminal domain (1 to 241) expressed in insect Sf9 cells by SPR analysis in presence of 20 uM geldanamycin				J Nat Prod 74: 1085-92 (2011) Article DOI: 10.1021/np200029q BindingDB Entry DOI: 10.7270/Q2GB26XR
Oklahoma State University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to human full length Hsp90 expressed in insect Sf9 cells by SPR analysis				J Nat Prod 74: 1085-92 (2011) Article DOI: 10.1021/np200029q BindingDB Entry DOI: 10.7270/Q2GB26XR
Oklahoma State University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Binding affinity to human Hsp90 N-terminal domain (1 to 241) expressed in insect Sf9 cells by SPR analysis				J Nat Prod 74: 1085-92 (2011) Article DOI: 10.1021/np200029q BindingDB Entry DOI: 10.7270/Q2GB26XR
Oklahoma State University Curated by ChEMBL					More data for this Ligand-Target Pair
Regulator of G-protein signaling 17 (Homo sapiens)	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of RGS17 (unknown origin) GAP activity in presence of GTP by malachite green dye based assay				J Nat Prod 80: 1992-2000 (2017) Article DOI: 10.1021/acs.jnatprod.7b00112 BindingDB Entry DOI: 10.7270/Q2RB777K
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate incubated for 10 mins measured for 30...				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of IKK-beta using TMB substrate after 15 mins by spectrophotometer analysis				Eur J Med Chem 51: 110-23 (2012) Article DOI: 10.1016/j.ejmech.2012.02.029 BindingDB Entry DOI: 10.7270/Q27W6CPJ
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair