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SMILES: O=c1oc(nc2ccccc12)-c1cccs1

InChI Key: InChIKey=VGHJEBXWEGFRGH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 222117   

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
Chymotrypsinogen A (Bos taurus (bovine))	BDBM222117 (2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4)) Show SMILES O=c1oc(nc2ccccc12)-c1cccs1 Show InChI InChI=1S/C12H7NO2S/c14-12-8-4-1-2-5-9(8)13-11(15-12)10-6-3-7-16-10/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)...				Bioorg Chem 70: 210-221 (2017) Article DOI: 10.1016/j.bioorg.2017.01.001 BindingDB Entry DOI: 10.7270/Q2QR4W00
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM222117 (2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4)) Show SMILES O=c1oc(nc2ccccc12)-c1cccs1 Show InChI InChI=1S/C12H7NO2S/c14-12-8-4-1-2-5-9(8)13-11(15-12)10-6-3-7-16-10/h1-7H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by scintillation counting analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM222117 (2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4)) Show SMILES O=c1oc(nc2ccccc12)-c1cccs1 Show InChI InChI=1S/C12H7NO2S/c14-12-8-4-1-2-5-9(8)13-11(15-12)10-6-3-7-16-10/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from Sprague-Dawley rat striatal membrane A2A adenosine receptor by scintillation counting analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM222117 (2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4)) Show SMILES O=c1oc(nc2ccccc12)-c1cccs1 Show InChI InChI=1S/C12H7NO2S/c14-12-8-4-1-2-5-9(8)13-11(15-12)10-6-3-7-16-10/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	7.6	n/a
University of Karachi					Assay Description The α-chymotrypsin inhibition activity was evaluated in 50 mM Tris-HCl buffer pH 7.6 with 10 mM CaCl2. α-Chymotrypsin (bovine pancreas) at ...				Bioorg Chem 70: 210-221 (2017) Article DOI: 10.1016/j.bioorg.2017.01.001 BindingDB Entry DOI: 10.7270/Q2QR4W00
					More data for this Ligand-Target Pair