BDBM50139815 CHEMBL3764687

SMILES: CCn1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12

InChI Key: InChIKey=LMHRKKARHMUHMN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50139815   

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))	BDBM50139815 (CHEMBL3764687) Show SMILES CCn1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 Show InChI InChI=1S/C19H17FN6O/c1-2-26-10-23-15-11(5-3-8-14(15)26)9-22-18(27)17-12-6-4-7-13(20)16(12)24-19(21)25-17/h3-8,10H,2,9H2,1H3,(H,22,27)(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 Similars	PubMed	3.10	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 receptor A1 (Homo sapiens (Human))	BDBM50139815 (CHEMBL3764687) Show SMILES CCn1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 Show InChI InChI=1S/C19H17FN6O/c1-2-26-10-23-15-11(5-3-8-14(15)26)9-22-18(27)17-12-6-4-7-13(20)16(12)24-19(21)25-17/h3-8,10H,2,9H2,1H3,(H,22,27)(H2,21,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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