BDBM493789 US10988455, Example 3(xxi)

SMILES: Cc1ncccc1Oc1nnc(N)nc1-c1ccccc1

InChI Key: InChIKey=KFWWMGZJNHYQBW-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 = 493789   

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 A1 (Homo sapiens (Human))	BDBM493789 (US10988455, Example 3(xxi)) Show SMILES Cc1ncccc1Oc1nnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C15H13N5O/c1-10-12(8-5-9-17-10)21-14-13(18-15(16)20-19-14)11-6-3-2-4-7-11/h2-9H,1H3,(H2,16,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...				US Patent US10988455 (2021)
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM493789 (US10988455, Example 3(xxi)) Show SMILES Cc1ncccc1Oc1nnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C15H13N5O/c1-10-12(8-5-9-17-10)21-14-13(18-15(16)20-19-14)11-6-3-2-4-7-11/h2-9H,1H3,(H2,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...				US Patent US10988455 (2021)
					More data for this Ligand-Target Pair