BDBM181012 US9133197, 4

SMILES: C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1

InChI Key: InChIKey=HMSFWLUZEDMXMM-SSDOTTSWSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 181012   

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))	BDBM181012 (US9133197, 4) Show SMILES C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 1 hr by competitive binding assay				J Med Chem 56: 5456-63 (2013) Article DOI: 10.1021/jm400491x BindingDB Entry DOI: 10.7270/Q2R49TQK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM181012 (US9133197, 4) Show SMILES C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. US Patent					Assay Description The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...				US Patent US9133197 (2015) BindingDB Entry DOI: 10.7270/Q2542MB7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM181012 (US9133197, 4) Show SMILES C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-K1 cells after 60 mins				J Med Chem 56: 5456-63 (2013) Article DOI: 10.1021/jm400491x BindingDB Entry DOI: 10.7270/Q2R49TQK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM181012 (US9133197, 4) Show SMILES C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP accumulation incubated for ...				J Med Chem 56: 5456-63 (2013) Article DOI: 10.1021/jm400491x BindingDB Entry DOI: 10.7270/Q2R49TQK
					More data for this Ligand-Target Pair