BDBM50139748 CHEMBL3763717

SMILES: Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1

InChI Key: InChIKey=JHWYFIOMMXUNLT-UHFFFAOYSA-N

Data: 3 KI

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 = 50139748   

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 (Homo sapiens (Human))	BDBM50139748 (CHEMBL3763717) Show SMILES Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1 Show InChI InChI=1S/C19H14FN5O/c20-13-6-7-14-15(9-13)24-19(21)25-17(14)18(26)23-10-12-4-1-3-11-5-2-8-22-16(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human adenosine A2A receptor expressed in HEK cell membranes after 60 mins by microplate scintillation counting an...				Bioorg Med Chem Lett 26: 1348-54 (2016) BindingDB Entry DOI: 10.7270/Q2S46TT3
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50139748 (CHEMBL3763717) Show SMILES Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1 Show InChI InChI=1S/C19H14FN5O/c20-13-6-7-14-15(9-13)24-19(21)25-17(14)18(26)23-10-12-4-1-3-11-5-2-8-22-16(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to rat A2A adenosine receptor				Bioorg Med Chem Lett 26: 1348-54 (2016) BindingDB Entry DOI: 10.7270/Q2S46TT3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50139748 (CHEMBL3763717) Show SMILES Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1 Show InChI InChI=1S/C19H14FN5O/c20-13-6-7-14-15(9-13)24-19(21)25-17(14)18(26)23-10-12-4-1-3-11-5-2-8-22-16(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 60 mins by microplate scintillation counting analysi...				Bioorg Med Chem Lett 26: 1348-54 (2016) BindingDB Entry DOI: 10.7270/Q2S46TT3
					More data for this Ligand-Target Pair