BDBM493750 US10988455, Example 1(lxxii)

SMILES: Nc1nnc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1

InChI Key: InChIKey=QORLVZVXTMAYJJ-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 = 493750   

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))	BDBM493750 (US10988455, Example 1(lxxii)) Show SMILES Nc1nnc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C19H14N4/c20-19-21-17(14-7-2-1-3-8-14)18(22-23-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,(H2,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.02	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))	BDBM493750 (US10988455, Example 1(lxxii)) Show SMILES Nc1nnc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C19H14N4/c20-19-21-17(14-7-2-1-3-8-14)18(22-23-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,(H2,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	102	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