Affinity Data by PDB ID

PDB code 1OT7

Identical Ligands in BindingDB

Found 20 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 (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	361	n/a	n/a	7.2	37
University di Perugia					Assay Description To evaluate FXR activity of compounds, COS1 (ATCC) cells were transfected with hFXR expression plasmid, mouse retinoid X receptor expression plasmid,...				J Med Chem 50: 4265-8 (2007) Article DOI: 10.1021/jm070633p BindingDB Entry DOI: 10.7270/Q2JS9NQ6
University di Perugia					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at recombinant human GST-tagged FXR ligand binding domain (193 to 472 residues) expressed in baculovirus infected insect cells asses...				J Med Chem 60: 9960-9973 (2017) Article DOI: 10.1021/acs.jmedchem.7b00907 BindingDB Entry DOI: 10.7270/Q2H997N6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	98	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Binding affinity to FXR assessed as ligand-dependent SRC1 recruitment by FRET based co-activator assay				J Med Chem 49: 4208-15 (2006) Article DOI: 10.1021/jm060294k BindingDB Entry DOI: 10.7270/Q23779H2
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at FXR (unknown origin) by reporter gene assay				J Med Chem 57: 8035-55 (2014) Article DOI: 10.1021/jm500937v BindingDB Entry DOI: 10.7270/Q26H4K06
Goethe University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	9.90E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at FXR (unknown origin) by coactivator recruitment assay				J Med Chem 57: 8035-55 (2014) Article DOI: 10.1021/jm500937v BindingDB Entry DOI: 10.7270/Q26H4K06
Goethe University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene ...				J Med Chem 57: 8035-55 (2014) Article DOI: 10.1021/jm500937v BindingDB Entry DOI: 10.7270/Q26H4K06
Goethe University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene...				Bioorg Med Chem 23: 3490-8 (2015) Article DOI: 10.1016/j.bmc.2015.04.035 BindingDB Entry DOI: 10.7270/Q27M09PP
Goethe University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Agonist activity at human GST-fused FXR LBD assessed as coactivator interaction with receptor ligand binding domain by Alphascreen assay				Bioorg Med Chem 19: 2650-8 (2011) Article DOI: 10.1016/j.bmc.2011.03.004 BindingDB Entry DOI: 10.7270/Q28W3DNP
Universit£ degli Studi di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM53721 ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Agonist activity at human FXR expressed in COS1 cells by luciferase assay				J Med Chem 51: 1831-41 (2008) Article DOI: 10.1021/jm7015864 BindingDB Entry DOI: 10.7270/Q2222VNJ
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	99	n/a	n/a	n/a	n/a
Universita di Perugia Curated by ChEMBL					Assay Description Agonist activity at FXR expressed in COS1 cells by cell-based bioluminescence assay				J Med Chem 52: 7958-61 (2009) Article DOI: 10.1021/jm901390p BindingDB Entry DOI: 10.7270/Q2TM7C1X
Universita di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	99	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effective concentration against Farnesoid X receptor (FXR)				J Med Chem 45: 3569-72 (2002) BindingDB Entry DOI: 10.7270/Q25D8SKG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Binding affinity for human Farnesoid X receptor in FRET assay				J Med Chem 47: 4559-69 (2004) Article DOI: 10.1021/jm049904b BindingDB Entry DOI: 10.7270/Q2JM2BD2
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	99	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Activation of human farnesoid X receptor				J Med Chem 48: 5383-403 (2005) Article DOI: 10.1021/jm0582221 BindingDB Entry DOI: 10.7270/Q2N29XQ6
Universit£ di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB US Patent	n/a	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a
ENANTA PHARMACEUTICALS, INC. US Patent					Assay Description The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Repor...				US Patent US10144729 (2018) BindingDB Entry DOI: 10.7270/Q29P33Q3
ENANTA PHARMACEUTICALS, INC. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at recombinant human GST-tagged FXR ligand binding domain (193 to 472 residues) expressed in baculovirus infected insect cells asses...				J Med Chem 60: 9960-9973 (2017) Article DOI: 10.1021/acs.jmedchem.7b00907 BindingDB Entry DOI: 10.7270/Q2H997N6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB US Patent	n/a	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a
Enanta Pharmaceuticals, Inc. US Patent					Assay Description The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...				US Patent US10208081 (2019) BindingDB Entry DOI: 10.7270/Q2PV6NH9
Enanta Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at FXR (unknown origin) assessed as recruitment of SRC1 peptide to FXR by FRET assay				J Med Chem 60: 5235-5266 (2017) Article DOI: 10.1021/acs.jmedchem.6b01287 BindingDB Entry DOI: 10.7270/Q2T43WDQ
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB US Patent	n/a	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a
University of Bath					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...				J Med Chem 50: 3540-60 (2007) BindingDB Entry DOI: 10.7270/Q2CJ8GSP
University of Bath					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Agonist activity at recombinant human GST-tagged FXR LBD (193 to 472 residues) expressed in baculovirus-infected insect cells assessed as recruitment...				ACS Med Chem Lett 8: 1246-1251 (2017) Article DOI: 10.1021/acsmedchemlett.7b00318 BindingDB Entry DOI: 10.7270/Q2XW4NBT
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile acid receptor (217/229 = 95%)^† (Homo sapiens (Human))	BDBM21675 ((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	99	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Binding affinity for Farnesoid X Receptor (FXR)				Bioorg Med Chem Lett 13: 1865-8 (2003) BindingDB Entry DOI: 10.7270/Q2Q52Q5J
Universit£ di Perugia 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