BDBM50508679 CHEMBL4530682

SMILES: Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(CO)c1

InChI Key: InChIKey=PXBABKDQVWUESV-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50508679   

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))	BDBM50508679 (CHEMBL4530682) Show SMILES Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(CO)c1 Show InChI InChI=1S/C16H12N4O2S/c17-13-12-16(23-15(18-12)11-5-2-6-22-11)20-14(19-13)10-4-1-3-9(7-10)8-21/h1-7,21H,8H2,(H2,17,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells after 3 hrs by scintillation counting method				Bioorg Med Chem Lett 29: 563-569 (2019) Article DOI: 10.1016/j.bmcl.2018.12.062
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50508679 (CHEMBL4530682) Show SMILES Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(CO)c1 Show InChI InChI=1S/C16H12N4O2S/c17-13-12-16(23-15(18-12)11-5-2-6-22-11)20-14(19-13)10-4-1-3-9(7-10)8-21/h1-7,21H,8H2,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells after 3 hrs by scintillation counting method				Bioorg Med Chem Lett 29: 563-569 (2019) Article DOI: 10.1016/j.bmcl.2018.12.062
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50508679 (CHEMBL4530682) Show SMILES Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(CO)c1 Show InChI InChI=1S/C16H12N4O2S/c17-13-12-16(23-15(18-12)11-5-2-6-22-11)20-14(19-13)10-4-1-3-9(7-10)8-21/h1-7,21H,8H2,(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells after 3 hrs by scintillation counting method				Bioorg Med Chem Lett 29: 563-569 (2019) Article DOI: 10.1016/j.bmcl.2018.12.062
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50508679 (CHEMBL4530682) Show SMILES Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(CO)c1 Show InChI InChI=1S/C16H12N4O2S/c17-13-12-16(23-15(18-12)11-5-2-6-22-11)20-14(19-13)10-4-1-3-9(7-10)8-21/h1-7,21H,8H2,(H2,17,19,20)	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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced increase in cAMP accumulation prein...				Bioorg Med Chem Lett 29: 563-569 (2019) Article DOI: 10.1016/j.bmcl.2018.12.062
					More data for this Ligand-Target Pair