BDBM50519773 CHEMBL4553497

SMILES: Oc1ccc(cc1)-c1cc2ccc(O)c(O)c2oc1=O

InChI Key: InChIKey=SHWFFEHIZXPZOK-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50519773   

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 A3 (Homo sapiens (Human))	BDBM50519773 (CHEMBL4553497) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-10-4-1-8(2-5-10)11-7-9-3-6-12(17)13(18)14(9)20-15(11)19/h1-7,16-18H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.16E+3	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 receptor A1 (Homo sapiens (Human))	BDBM50519773 (CHEMBL4553497) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-10-4-1-8(2-5-10)11-7-9-3-6-12(17)13(18)14(9)20-15(11)19/h1-7,16-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+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]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 receptors; A2a & A2b (Homo sapiens (Human))	BDBM50519773 (CHEMBL4553497) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-10-4-1-8(2-5-10)11-7-9-3-6-12(17)13(18)14(9)20-15(11)19/h1-7,16-18H	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM50519773 (CHEMBL4553497) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-10-4-1-8(2-5-10)11-7-9-3-6-12(17)13(18)14(9)20-15(11)19/h1-7,16-18H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.53E+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
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50519773 (CHEMBL4553497) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-10-4-1-8(2-5-10)11-7-9-3-6-12(17)13(18)14(9)20-15(11)19/h1-7,16-18H	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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