BindingDB PrimarySearch

BDBM398043 US10322118, Entry 1

SMILES: OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1

InChI Key: InChIKey=PPJYSSNKSXAVDB-UHFFFAOYSA-N

Data: 2 IC50 2 Kd 5 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 398043
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
CFTR inhibitory factor, Cif (Pseudomonas aeruginosa (strain UCBPP-PA14))	BDBM398043 (US10322118, Entry 1) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using f...				Bioorg Med Chem Lett 19: 4280-3 (2009) BindingDB Entry DOI: 10.7270/Q2KW5JC9
AstraZeneca					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM398043 (US10322118, Entry 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Binding affinity to purified integrin alphaVbeta3 receptor (unknown origin) incubated for 2 hrs				J Med Chem 63: 7653-7662 (2020)
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM398043 (US10322118, Entry 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB 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 recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid...				J Med Chem 63: 6727-6740 (2020)
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM398043 (US10322118, Entry 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry				J Med Chem 63: 6727-6740 (2020)
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM398043 (US10322118, Entry 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at GFP RXRalpha LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment incubated for 2 hrs by HT-FRET assay				J Med Chem 63: 6727-6740 (2020)
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM398043 (US10322118, Entry 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Binding affinity to RXRalpha LBD (unknown origin) by isothermal titration calorimetry				J Med Chem 63: 6727-6740 (2020)
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM398043 (US10322118, Entry 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at THRalpha (unknown origin) incubated for 14 to 16 hrs by dual glo luciferase reporter gene assay				J Med Chem 63: 6727-6740 (2020)
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM398043 (US10322118, Entry 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at THRbeta (unknown origin) incubated for 14 to 16 hrs by dual glo luciferase reporter gene assay				J Med Chem 63: 6727-6740 (2020)
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM398043 (US10322118, Entry 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at recombinant human pFA-CMV fused RXRalpha LBD expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plas...				J Med Chem 63: 6727-6740 (2020)
Goethe-University Frankfurt Curated by ChEMBL					More data for this Ligand-Target Pair