BDBM50138716 CHEMBL3753507

SMILES: O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccncc1

InChI Key: InChIKey=QWKYIMRQSGMPPV-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50138716   

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))	BDBM50138716 (CHEMBL3753507) Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccncc1 Show InChI InChI=1S/C21H14N6OS/c28-21(14-8-10-22-11-9-14)25-20-18-16(23-19(24-20)17-7-4-12-29-17)13-27(26-18)15-5-2-1-3-6-15/h1-13H,(H,23,24,25,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.5	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 [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method				Eur J Med Chem 108: 117-33 (2016) BindingDB Entry DOI: 10.7270/Q2NK3GWZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50138716 (CHEMBL3753507) Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccncc1 Show InChI InChI=1S/C21H14N6OS/c28-21(14-8-10-22-11-9-14)25-20-18-16(23-19(24-20)17-7-4-12-29-17)13-27(26-18)15-5-2-1-3-6-15/h1-13H,(H,23,24,25,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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 [125I]AB-MECA at rat A3 receptor expressed in HEK293 cells after 60 mins by scintillation counting method				Eur J Med Chem 108: 117-33 (2016) BindingDB Entry DOI: 10.7270/Q2NK3GWZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50138716 (CHEMBL3753507) Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccncc1 Show InChI InChI=1S/C21H14N6OS/c28-21(14-8-10-22-11-9-14)25-20-18-16(23-19(24-20)17-7-4-12-29-17)13-27(26-18)15-5-2-1-3-6-15/h1-13H,(H,23,24,25,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	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 A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...				Eur J Med Chem 108: 117-33 (2016) BindingDB Entry DOI: 10.7270/Q2NK3GWZ
					More data for this Ligand-Target Pair