BDBM181133 US10093658, Compound Allopurinol::US10752613, Compound Allopurinol::US9138393, Allopurinol::US9144538, Allopurinol

SMILES: Oc1ncnc2[nH]ncc12

InChI Key: InChIKey=OFCNXPDARWKPPY-UHFFFAOYSA-N

Data: 11 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 181133   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...				US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...				US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV
					More data for this Ligand-Target Pair
Solute carrier family 22 member 12 (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...				US Patent US10093658 (2018) BindingDB Entry DOI: 10.7270/Q2NZ89PW
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US10093658 (2018) BindingDB Entry DOI: 10.7270/Q2NZ89PW
					More data for this Ligand-Target Pair
Solute carrier family 22 member 12 (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...				US Patent US10752613 (2020)
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHINA PHARMACEUTICAL UNIVERSITY US Patent					Assay Description 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m...				US Patent US11021454 (2021)
					More data for this Ligand-Target Pair
Solute carrier family 22 member 12 (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...				US Patent US11020397 (2021)
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021)
					More data for this Ligand-Target Pair
Solute carrier family 22 member 12 (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was use...				US Patent US11020397 (2021)
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US11020397 (2021)
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Homo sapiens (Human))	BDBM181133 (US10093658, Compound Allopurinol | US10752613, Com...) Show SMILES Oc1ncnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Acquist LLC US Patent					Assay Description Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...				US Patent US10752613 (2020)
					More data for this Ligand-Target Pair