Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Iodotyrosine deiodinase (IYD)'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Iodotyrosine deiodinase 1 [1-1,32-289] (Homo sapiens (Human))	BDBM37633 ((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...) Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University					Assay Description Dissociation constants (Kd) for the ligands of IYD were determined by their ability to quench the fluorescence of the oxidized FMN (FMNox) (λex ...				Biochemistry 56: 1130-1139 (2017) Article DOI: 10.1021/acs.biochem.6b01308 BindingDB Entry DOI: 10.7270/Q2ZK5FJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Iodotyrosine deiodinase [1-228] (Haliscomenobacter hydrossis)	BDBM217400 (4-Cyano-2-iodophenol (2IPCN)) Show SMILES Oc1ccc(cc1I)C#N Show InChI InChI=1S/C7H4INO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University					Assay Description Dissociation constants (Kd) for the ligands of IYD were determined by their ability to quench the fluorescence of the oxidized FMN (FMNox) (λex ...				Biochemistry 56: 1130-1139 (2017) Article DOI: 10.1021/acs.biochem.6b01308 BindingDB Entry DOI: 10.7270/Q2ZK5FJM
					More data for this Ligand-Target Pair
Iodotyrosine deiodinase [1-228] (Haliscomenobacter hydrossis)	BDBM37633 ((2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic ...) Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O Show InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University					Assay Description Dissociation constants (Kd) for the ligands of IYD were determined by their ability to quench the fluorescence of the oxidized FMN (FMNox) (λex ...				Biochemistry 56: 1130-1139 (2017) Article DOI: 10.1021/acs.biochem.6b01308 BindingDB Entry DOI: 10.7270/Q2ZK5FJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Iodotyrosine deiodinase [1-228] (Haliscomenobacter hydrossis)	BDBM217399 (4-Hydroxy-3-iodobenzoic acid (2IPCOOH)) Show SMILES OC(=O)c1ccc(O)c(I)c1 Show InChI InChI=1S/C7H5IO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University					Assay Description Dissociation constants (Kd) for the ligands of IYD were determined by their ability to quench the fluorescence of the oxidized FMN (FMNox) (λex ...				Biochemistry 56: 1130-1139 (2017) Article DOI: 10.1021/acs.biochem.6b01308 BindingDB Entry DOI: 10.7270/Q2ZK5FJM
					More data for this Ligand-Target Pair
Iodotyrosine deiodinase [1-228] (Haliscomenobacter hydrossis)	BDBM217397 (2-Iodophenol (2IP)) Show SMILES Oc1ccccc1I Show InChI InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University					Assay Description Dissociation constants (Kd) for the ligands of IYD were determined by their ability to quench the fluorescence of the oxidized FMN (FMNox) (λex ...				Biochemistry 56: 1130-1139 (2017) Article DOI: 10.1021/acs.biochem.6b01308 BindingDB Entry DOI: 10.7270/Q2ZK5FJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Iodotyrosine deiodinase [1-228] (Haliscomenobacter hydrossis)	BDBM217398 (4-Amino-2-iodophenol (4A2IP)) Show SMILES Nc1ccc(O)c(I)c1 Show InChI InChI=1S/C6H6INO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University					Assay Description Dissociation constants (Kd) for the ligands of IYD were determined by their ability to quench the fluorescence of the oxidized FMN (FMNox) (λex ...				Biochemistry 56: 1130-1139 (2017) Article DOI: 10.1021/acs.biochem.6b01308 BindingDB Entry DOI: 10.7270/Q2ZK5FJM
					More data for this Ligand-Target Pair
Iodotyrosine deiodinase 1 [1-1,32-289] (Homo sapiens (Human))	BDBM217397 (2-Iodophenol (2IP)) Show SMILES Oc1ccccc1I Show InChI InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.41E+6	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University					Assay Description Dissociation constants (Kd) for the ligands of IYD were determined by their ability to quench the fluorescence of the oxidized FMN (FMNox) (λex ...				Biochemistry 56: 1130-1139 (2017) Article DOI: 10.1021/acs.biochem.6b01308 BindingDB Entry DOI: 10.7270/Q2ZK5FJM
					More data for this Ligand-Target Pair