BDBM50019208 CHEMBL137922

SMILES: COc1ccc(cc1OC)-c1nc(O)c2ccccc2n1

InChI Key: InChIKey=QZYGERCWCIKOGH-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50019208   

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
Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50019208 (CHEMBL137922) Show SMILES COc1ccc(cc1OC)-c1nc(O)c2ccccc2n1 Show InChI InChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.81E+3	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
Adenosine receptor (Rattus norvegicus (rat))	BDBM50019208 (CHEMBL137922) Show SMILES COc1ccc(cc1OC)-c1nc(O)c2ccccc2n1 Show InChI InChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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]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
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM50019208 (CHEMBL137922) Show SMILES COc1ccc(cc1OC)-c1nc(O)c2ccccc2n1 Show InChI InChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-d-glucuronide as substrate after 30 mins				Eur J Med Chem 187: (2020)
					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM50019208 (CHEMBL137922) Show SMILES COc1ccc(cc1OC)-c1nc(O)c2ccccc2n1 Show InChI InChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of beta-glucuronidase activity (unknown origin) assessed as p-nitrophenol formation after 30 mins using p-nitrophenyl-beta-D-glucuronide a...				Bioorg Med Chem 22: 3449-54 (2014) Article DOI: 10.1016/j.bmc.2014.04.039 BindingDB Entry DOI: 10.7270/Q2057HHX
					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM50019208 (CHEMBL137922) Show SMILES COc1ccc(cc1OC)-c1nc(O)c2ccccc2n1 Show InChI InChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of beta-glucuronidase (unknown origin)				Eur J Med Chem 187: (2020)
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50019208 (CHEMBL137922) Show SMILES COc1ccc(cc1OC)-c1nc(O)c2ccccc2n1 Show InChI InChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Medical College Curated by ChEMBL					Assay Description Inhibition of bovine tubulin polymerization				J Med Chem 43: 4479-87 (2000) Article DOI: 10.1021/jm000151c BindingDB Entry DOI: 10.7270/Q2JS9T53
					More data for this Ligand-Target Pair