BDBM181146 US9138393, Adenine::US9144538, Adenine

SMILES: Nc1ncnc2[nH]cnc12

InChI Key: InChIKey=GFFGJBXGBJISGV-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 139 PDB IDs match this monomer.

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 3 hits for monomerid = 181146   

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 3A (Homo sapiens (Human))	BDBM181146 (US9138393, Adenine | US9144538, Adenine) Show SMILES Nc1ncnc2[nH]cnc12 Show InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase KEGG PC cid PC sid PDB UniChem Similars	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
Bile salt export pump (Homo sapiens (Human))	BDBM181146 (US9138393, Adenine | US9144538, Adenine) Show SMILES Nc1ncnc2[nH]cnc12 Show InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)	PDB UniProtKB/SwissProt GoogleScholar	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (Human))	BDBM181146 (US9138393, Adenine | US9144538, Adenine) Show SMILES Nc1ncnc2[nH]cnc12 Show InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase KEGG PC cid PC sid PDB UniChem Similars	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