BDBM50361328 CHEMBL1935755

SMILES: Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=XVPZIZMCZVRQNF-UHFFFAOYSA-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 = 50361328   

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))	BDBM50361328 (CHEMBL1935755) Show SMILES Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50361328 (CHEMBL1935755) Show SMILES Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50361328 (CHEMBL1935755) Show SMILES Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	802	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50361328 (CHEMBL1935755) Show SMILES Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	595	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
					More data for this Ligand-Target Pair