Affinity Data by PDB ID

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PDB code 3DCU

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Bile acid receptor (235/235 = 100%)^† (Homo sapiens (Human))	BDBM30329 (Naphthoic acid-based analog, 1b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	87	n/a	n/a	7.5	22
GSK					Assay Description The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...				Bioorg Med Chem Lett 18: 4339-43 (2008) Article DOI: 10.1016/j.bmcl.2008.06.073 BindingDB Entry DOI: 10.7270/Q2KK994P
GSK					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (235/235 = 100%)^† (Homo sapiens (Human))	BDBM30329 (Naphthoic acid-based analog, 1b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
GSK					Assay Description The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...				Bioorg Med Chem Lett 18: 4339-43 (2008) Article DOI: 10.1016/j.bmcl.2008.06.073 BindingDB Entry DOI: 10.7270/Q2KK994P
GSK					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (235/235 = 100%)^† (Homo sapiens (Human))	BDBM30329 (Naphthoic acid-based analog, 1b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human FXR LBD transfected in african green monkey CV1 cells after overnight incubation by luciferase reporter gene assay				Bioorg Med Chem Lett 21: 6154-60 (2011) Article DOI: 10.1016/j.bmcl.2011.08.034 BindingDB Entry DOI: 10.7270/Q2SB4640
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (235/235 = 100%)^† (Homo sapiens (Human))	BDBM30329 (Naphthoic acid-based analog, 1b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human FXR LBD iexpressed in monkey CV-1 cells assessed as transactivation of luciferase reporter gene expression				Bioorg Med Chem Lett 21: 1206-13 (2011) Article DOI: 10.1016/j.bmcl.2010.12.089 BindingDB Entry DOI: 10.7270/Q27D2VDD
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (235/235 = 100%)^† (Homo sapiens (Human))	BDBM30329 (Naphthoic acid-based analog, 1b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	87	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human amino-terminal polyhistidine-tagged FXR alpha LBD (amino acids 237 to 472) assessed as cofactor peptide SRC-1 interaction w...				Bioorg Med Chem Lett 21: 6154-60 (2011) Article DOI: 10.1016/j.bmcl.2011.08.034 BindingDB Entry DOI: 10.7270/Q2SB4640
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (235/235 = 100%)^† (Homo sapiens (Human))	BDBM30329 (Naphthoic acid-based analog, 1b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	87	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human FXR LBD assessed as SRC1 peptide recruitment by FRET assay				Bioorg Med Chem Lett 21: 1206-13 (2011) Article DOI: 10.1016/j.bmcl.2010.12.089 BindingDB Entry DOI: 10.7270/Q27D2VDD
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output