BindingDB PrimarySearch

BDBM50292431 (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-carboxypropanoyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid::3-O-Succinyl-betulinic Acid::Betulinic acid 3-O-succinate::CHEMBL446317

SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O

InChI Key: InChIKey=IPNHFMOCGOTVDP-PBWYTAEDSA-N

Data: 3 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50292431
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 kinase C delta type (Homo sapiens (Human))	BDBM50292431 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...) 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 Patents Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC delta				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50292431 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Universite Louis Pasteur Curated by ChEMBL					Assay Description Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay				J Med Chem 53: 178-90 (2010) Article DOI: 10.1021/jm900872z BindingDB Entry DOI: 10.7270/Q2RJ4KDW
Universite Louis Pasteur Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C, epsilon (Homo sapiens (Human))	BDBM50292431 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...) 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 Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC epsilon				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM50292431 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...) 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	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC beta2				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
TBA Curated by ChEMBL					More data for this Ligand-Target Pair