BindingDB PrimarySearch

null

SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O

InChI Key: InChIKey=WCGUUGGRBIKTOS-GPOJBZKASA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 116 hits for monomerid = 50148911
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
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...				J Nat Prod 81: 2235-2243 (2018) Article DOI: 10.1021/acs.jnatprod.8b00514 BindingDB Entry DOI: 10.7270/Q2QZ2FD9
Universit£ del Piemonte Orientale Curated by ChEMBL					More data for this Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...				J Nat Prod 81: 2235-2243 (2018) Article DOI: 10.1021/acs.jnatprod.8b00514 BindingDB Entry DOI: 10.7270/Q2QZ2FD9
Universit£ del Piemonte Orientale Curated by ChEMBL					More data for this Ligand-Target Pair
Hemagglutinin (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.65E+4	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay				Eur J Med Chem 163: 560-568 (2019) Article DOI: 10.1016/j.ejmech.2018.12.006 BindingDB Entry DOI: 10.7270/Q2PZ5D9C
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Hemagglutinin (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.65E+4	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay				Eur J Med Chem 163: 560-568 (2019) Article DOI: 10.1016/j.ejmech.2018.12.006 BindingDB Entry DOI: 10.7270/Q2PZ5D9C
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Greensboro Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21 (DE3) cells using PNPP as substate preincubated for 5 mins followed by substrate additon...				J Nat Prod 83: 675-683 (2020) Article DOI: 10.1021/acs.jnatprod.9b01108 BindingDB Entry DOI: 10.7270/Q2DZ0CVR
University of North Carolina Greensboro Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using p-nitrophenyl phosphate as substrate incubated for 30 m...				J Nat Prod 83: 814-824 (2020) Article DOI: 10.1021/acs.jnatprod.9b00262 BindingDB Entry DOI: 10.7270/Q2QJ7MTH
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenolate formation using using pNPP as substrate incubated for 15 mins by spectr...				J Nat Prod 83: 323-332 (2020) Article DOI: 10.1021/acs.jnatprod.9b00777 BindingDB Entry DOI: 10.7270/Q2GM8BVJ
Kyungpook National University Curated by ChEMBL					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Inhibition of human CETP				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126824 BindingDB Entry DOI: 10.7270/Q2KD22FF
Nanjing Medical University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type human HIS6-tagged PTP1B (1 to 400 residues) expressed in Escherichia coli Rosetta (DE3) pLysS cells using p-NPP substrate pre...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00313 BindingDB Entry DOI: 10.7270/Q2QV3R6P
TBA					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CES1A1 in human liver microsomes using D-luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition an...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00464 BindingDB Entry DOI: 10.7270/Q2BG2SMW
TBA					More data for this Ligand-Target Pair
Sentrin-specific protease 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114227 BindingDB Entry DOI: 10.7270/Q2T43Z3H
TBA					More data for this Ligand-Target Pair
Sentrin-specific protease 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113918 BindingDB Entry DOI: 10.7270/Q2T72NHT
TBA					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Sentrin-specific protease 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Steryl-sulfatase (Rattus norvegicus)	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid \| 3beta-hyd...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair

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