BindingDB PrimarySearch

Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6012
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
Androgen receptor (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	3.20	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM104030 (Aryl Nilutamide HDACi analog 14e) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	440	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM104029 (Aryl Nilutamide HDACi analog 14d) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	460	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM104027 (Aryl Nilutamide HDACi analog 14b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	670	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM104026 (Aryl Nilutamide HDACi analog 14a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	720	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM104028 (Aryl Nilutamide HDACi analog 14c) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM104037 (Alkyl Nilutamide HDACi analog 15f) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	960	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM104031 (Aryl Nilutamide HDACi analog 14f) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50135908 (4-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-tri...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.28E+3	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE \| US10053433, FC 4.129 \| US10806720, ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	1.35E+3	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM104036 (Alkyl Nilutamide HDACi analog 15e) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.37E+3	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18525 (Bicalutamide \| CHEMBL409 \| N-[4-cyano-3-(trifluoro...) 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	DrugBank PDB Article PubMed	2.46E+3	n/a	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM104035 (Alkyl Nilutamide HDACi analog 15d) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM104034 (Alkyl Nilutamide HDACi analog 15c) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.68E+3	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM104032 (Alkyl Nilutamide HDACi analog 15a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.96E+3	n/a	5.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM104033 (Alkyl Nilutamide HDACi analog 15b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.48E+3	n/a	6.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
Georgia Institute of Technology					More data for this Ligand-Target Pair