BDBM50399608 CHEMBL2180920

SMILES: CCCCN(C)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=AXCOIUNNTSIFCI-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 = 50399608   

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 A3 (Homo sapiens (Human))	BDBM50399608 (CHEMBL2180920) Show SMILES CCCCN(C)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H19N7O/c1-4-5-8-21(2)16-18-13-11(10-22(3)19-13)15-17-14(20-23(15)16)12-7-6-9-24-12/h6-7,9-10H,4-5,8H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane				J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50399608 (CHEMBL2180920) Show SMILES CCCCN(C)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H19N7O/c1-4-5-8-21(2)16-18-13-11(10-22(3)19-13)15-17-14(20-23(15)16)12-7-6-9-24-12/h6-7,9-10H,4-5,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membrane				J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50399608 (CHEMBL2180920) Show SMILES CCCCN(C)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H19N7O/c1-4-5-8-21(2)16-18-13-11(10-22(3)19-13)15-17-14(20-23(15)16)12-7-6-9-24-12/h6-7,9-10H,4-5,8H2,1-3H3	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	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane				J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50399608 (CHEMBL2180920) Show SMILES CCCCN(C)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H19N7O/c1-4-5-8-21(2)16-18-13-11(10-22(3)19-13)15-17-14(20-23(15)16)12-7-6-9-24-12/h6-7,9-10H,4-5,8H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as NECA-induced adenylate cyclase activity				J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK
					More data for this Ligand-Target Pair