Compile Data Set for Download or QSAR

Found 101 hits of ic50 data for polymerid = 50006165   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008027 (CHEMBL3234384) Show SMILES CN(CCC([O-])=O)[N+](C)(C)C Show InChI InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007999 (CHEMBL3234371) Show SMILES [Cl-].C[N+](C)(C)CCCP(O)(O)=O Show InChI InChI=1S/C6H16NO3P.ClH/c1-7(2,3)5-4-6-11(8,9)10;/h4-6H2,1-3H3,(H-,8,9,10);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007967 (CHEMBL3234364) Show SMILES [Cl-].C[N+](C)(CCCl)CCCC(O)=O Show InChI InChI=1S/C8H16ClNO2.ClH/c1-10(2,7-5-9)6-3-4-8(11)12;/h3-7H2,1-2H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007936 (CHEMBL3234354) Show SMILES [Cl-].C[N+]1(CCCC(O)=O)CCCC1 Show InChI InChI=1S/C9H17NO2.ClH/c1-10(6-2-3-7-10)8-4-5-9(11)12;/h2-8H2,1H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008009 (CHEMBL3234372) Show SMILES C[N+](C)(C)CCCP([O-])=O Show InChI InChI=1S/C6H16NO2P/c1-7(2,3)5-4-6-10(8)9/h10H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008011 (CHEMBL3234373) Show SMILES CC[N+](C)(C)CCCP([O-])=O Show InChI InChI=1S/C7H18NO2P/c1-4-8(2,3)6-5-7-11(9)10/h11H,4-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007934 (CHEMBL3234352) Show SMILES [Cl-].C[N+](C)(CCF)CCCC(O)=O Show InChI InChI=1S/C8H16FNO2.ClH/c1-10(2,7-5-9)6-3-4-8(11)12;/h3-7H2,1-2H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007915 (CHEMBL3234348) Show SMILES C[N+](C)(CCCC([O-])=O)C1CCC1 Show InChI InChI=1S/C10H19NO2/c1-11(2,9-5-3-6-9)8-4-7-10(12)13/h9H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007968 (CHEMBL3234365) Show SMILES [Cl-].C[N+](C)(CCBr)CCCC(O)=O Show InChI InChI=1S/C8H16BrNO2.ClH/c1-10(2,7-5-9)6-3-4-8(11)12;/h3-7H2,1-2H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007940 (CHEMBL3234358) Show SMILES C[N+](C)(CCCC([O-])=O)CC#C Show InChI InChI=1S/C9H15NO2/c1-4-7-10(2,3)8-5-6-9(11)12/h1H,5-8H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007974 (CHEMBL3234370) Show SMILES C[N+](C)(C)CCCS([O-])(=O)=O Show InChI InChI=1S/C6H15NO3S/c1-7(2,3)5-4-6-11(8,9)10/h4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007914 (CHEMBL3234347) Show SMILES C[N+](C)(CCCC([O-])=O)C1CC1 Show InChI InChI=1S/C9H17NO2/c1-10(2,8-5-6-8)7-3-4-9(11)12/h8H,3-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028968 (CHEMBL3335712) Show SMILES Cl[Se]c1ccccc1 Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028971 (CHEMBL3335713) Show SMILES Br[Se]c1ccccc1 Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007938 (CHEMBL3234356) Show SMILES C[N+](C)(CCCC([O-])=O)CC=C Show InChI InChI=1S/C9H17NO2/c1-4-7-10(2,3)8-5-6-9(11)12/h4H,1,5-8H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008031 (CHEMBL3234387) Show SMILES CCN(CCC([O-])=O)[N+](C)(C)C Show InChI InChI=1S/C8H18N2O2/c1-5-9(10(2,3)4)7-6-8(11)12/h5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028968 (CHEMBL3335712) Show SMILES Cl[Se]c1ccccc1 Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028971 (CHEMBL3335713) Show SMILES Br[Se]c1ccccc1 Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008030 (CHEMBL3234386) Show SMILES CCC[N+](C)(C)N(C)CCC([O-])=O Show InChI InChI=1S/C9H20N2O2/c1-5-8-11(3,4)10(2)7-6-9(12)13/h5-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028968 (CHEMBL3335712) Show SMILES Cl[Se]c1ccccc1 Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007908 (CHEMBL3234342) Show SMILES CC[N+](C)(C)CCCC([O-])=O Show InChI InChI=1S/C8H17NO2/c1-4-9(2,3)7-5-6-8(10)11/h4-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028971 (CHEMBL3335713) Show SMILES Br[Se]c1ccccc1 Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028971 (CHEMBL3335713) Show SMILES Br[Se]c1ccccc1 Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007973 (CHEBI:17237 | CHEMBL3234369) Show SMILES C[N+](C)(C)C\C=C\C([O-])=O Show InChI InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028968 (CHEMBL3335712) Show SMILES Cl[Se]c1ccccc1 Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028968 (CHEMBL3335712) Show SMILES Cl[Se]c1ccccc1 Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007939 (CHEMBL3234357) Show SMILES CC(C)[N+](C)(C)CCCC([O-])=O Show InChI InChI=1S/C9H19NO2/c1-8(2)10(3,4)7-5-6-9(11)12/h8H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) Show SMILES CN(C)C(=S)SSC(=S)N(C)C Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50007995 (ETHYL DIMETHYL AMMONIO PROPANE SULFONATE) Show SMILES CC[N+](C)(C)CCCS([O-])(=O)=O Show InChI InChI=1S/C7H17NO3S/c1-4-8(2,3)6-5-7-12(9,10)11/h4-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008024 (CHEMBL3234381) Show SMILES C[N+](C)(NCCC([O-])=O)C=C Show InChI InChI=1S/C7H14N2O2/c1-4-9(2,3)8-6-5-7(10)11/h4,8H,1,5-6H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028971 (CHEMBL3335713) Show SMILES Br[Se]c1ccccc1 Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008028 (CHEMBL3234385) Show SMILES CC[N+](C)(C)N(C)CCC([O-])=O Show InChI InChI=1S/C8H18N2O2/c1-5-10(3,4)9(2)7-6-8(11)12/h5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) Show SMILES CN(C)C(=S)SSC(=S)N(C)C Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008025 (CHEMBL3234382) Show SMILES [Br-].C[N+](C)(CCCl)NCCC(O)=O Show InChI InChI=1S/C7H15ClN2O2.BrH/c1-10(2,6-4-8)9-5-3-7(11)12;/h9H,3-6H2,1-2H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) Show SMILES CN(C)C(=S)SSC(=S)N(C)C Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028967 (CHEMBL3335714) Show SMILES O[Se]c1ccccc1 Show InChI InChI=1S/C6H6OSe/c7-8-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028967 (CHEMBL3335714) Show SMILES O[Se]c1ccccc1 Show InChI InChI=1S/C6H6OSe/c7-8-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50008026 (CHEMBL3234383) Show SMILES [Br-].C[N+](C)(CC#C)NCCC(O)=O Show InChI InChI=1S/C8H14N2O2.BrH/c1-4-7-10(2,3)9-6-5-8(11)12;/h1,9H,5-7H2,2-3H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Biomedical Research and Study centre Curated by ChEMBL					Assay Description Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...				J Med Chem 57: 2213-36 (2014) Article DOI: 10.1021/jm401603e BindingDB Entry DOI: 10.7270/Q22N53TP
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028967 (CHEMBL3335714) Show SMILES O[Se]c1ccccc1 Show InChI InChI=1S/C6H6OSe/c7-8-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50193145 (2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...) Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50193145 (2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...) Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair

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