BDBM50393189 CHEMBL2153612

SMILES: Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1

InChI Key: InChIKey=YFQITQSJBLXADJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50393189   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50393189 (CHEMBL2153612) Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1 Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50393189 (CHEMBL2153612) Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1 Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50393189 (CHEMBL2153612) Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1 Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50393189 (CHEMBL2153612) Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1 Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50393189 (CHEMBL2153612) Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1 Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair