BDBM50344055 8-Ethoxy-3-phenylcoumarin::CHEMBL1777843

SMILES: CCOc1cccc2cc(-c3ccccc3)c(=O)oc12

InChI Key: InChIKey=JWPFCIXQOFVAHQ-UHFFFAOYSA-N

Data: 4 KI  2 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 = 50344055   

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 A1 (Homo sapiens (Human))	BDBM50344055 (8-Ethoxy-3-phenylcoumarin | CHEMBL1777843) Show SMILES CCOc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H14O3/c1-2-19-15-10-6-9-13-11-14(17(18)20-16(13)15)12-7-4-3-5-8-12/h3-11H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50344055 (8-Ethoxy-3-phenylcoumarin | CHEMBL1777843) Show SMILES CCOc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H14O3/c1-2-19-15-10-6-9-13-11-14(17(18)20-16(13)15)12-7-4-3-5-8-12/h3-11H,2H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50344055 (8-Ethoxy-3-phenylcoumarin | CHEMBL1777843) Show SMILES CCOc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H14O3/c1-2-19-15-10-6-9-13-11-14(17(18)20-16(13)15)12-7-4-3-5-8-12/h3-11H,2H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of radioligand from human adenosine receptor A2B expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50344055 (8-Ethoxy-3-phenylcoumarin | CHEMBL1777843) Show SMILES CCOc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H14O3/c1-2-19-15-10-6-9-13-11-14(17(18)20-16(13)15)12-7-4-3-5-8-12/h3-11H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572
					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50344055 (8-Ethoxy-3-phenylcoumarin | CHEMBL1777843) Show SMILES CCOc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H14O3/c1-2-19-15-10-6-9-13-11-14(17(18)20-16(13)15)12-7-4-3-5-8-12/h3-11H,2H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate measured for 5 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 3342-5 (2011) Article DOI: 10.1016/j.bmcl.2011.04.012 BindingDB Entry DOI: 10.7270/Q2QF8T68
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50344055 (8-Ethoxy-3-phenylcoumarin | CHEMBL1777843) Show SMILES CCOc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H14O3/c1-2-19-15-10-6-9-13-11-14(17(18)20-16(13)15)12-7-4-3-5-8-12/h3-11H,2H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Antagonist activity at human adenosine receptor A2B expressed in CHO cells assessed as suppression of NECA-induced decrease of cAMP accumulation by G...				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572
					More data for this Ligand-Target Pair