BDBM50369703 CHEMBL4160264

SMILES: CCCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1

InChI Key: InChIKey=PKIDCKBEUXHACA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50369703   

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))	BDBM50369703 (CHEMBL4160264) Show SMILES CCCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1 Show InChI InChI=1S/C19H23N5/c1-2-12-24-18(14-8-4-3-5-9-14)23-16-17(20-13-21-19(16)24)22-15-10-6-7-11-15/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...				Eur J Med Chem 151: 199-213 (2018) Article DOI: 10.1016/j.ejmech.2018.03.067 BindingDB Entry DOI: 10.7270/Q2Z03BQ0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50369703 (CHEMBL4160264) Show SMILES CCCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1 Show InChI InChI=1S/C19H23N5/c1-2-12-24-18(14-8-4-3-5-9-14)23-16-17(20-13-21-19(16)24)22-15-10-6-7-11-15/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	634	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...				Eur J Med Chem 151: 199-213 (2018) Article DOI: 10.1016/j.ejmech.2018.03.067 BindingDB Entry DOI: 10.7270/Q2Z03BQ0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50369703 (CHEMBL4160264) Show SMILES CCCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1 Show InChI InChI=1S/C19H23N5/c1-2-12-24-18(14-8-4-3-5-9-14)23-16-17(20-13-21-19(16)24)22-15-10-6-7-11-15/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	749	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...				Eur J Med Chem 151: 199-213 (2018) Article DOI: 10.1016/j.ejmech.2018.03.067 BindingDB Entry DOI: 10.7270/Q2Z03BQ0
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50369703 (CHEMBL4160264) Show SMILES CCCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1 Show InChI InChI=1S/C19H23N5/c1-2-12-24-18(14-8-4-3-5-9-14)23-16-17(20-13-21-19(16)24)22-15-10-6-7-11-15/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...				Eur J Med Chem 151: 199-213 (2018) Article DOI: 10.1016/j.ejmech.2018.03.067 BindingDB Entry DOI: 10.7270/Q2Z03BQ0
					More data for this Ligand-Target Pair