BDBM493797 US10988455, Example 5(ix)

SMILES: Cc1cn(cc(C)c1=O)-c1nnc(N)nc1-c1ccccc1

InChI Key: InChIKey=JKHKZYJFIRNOLF-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 = 493797   

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))	BDBM493797 (US10988455, Example 5(ix)) Show SMILES Cc1cn(cc(C)c1=O)-c1nnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C16H15N5O/c1-10-8-21(9-11(2)14(10)22)15-13(18-16(17)20-19-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	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 A1 (Homo sapiens (Human))	BDBM493797 (US10988455, Example 5(ix)) Show SMILES Cc1cn(cc(C)c1=O)-c1nnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C16H15N5O/c1-10-8-21(9-11(2)14(10)22)15-13(18-16(17)20-19-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	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