BDBM50137535 CHEMBL3753698

SMILES: CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1

InChI Key: InChIKey=GWHGVYPWMAAHQK-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 = 50137535   

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))	BDBM50137535 (CHEMBL3753698) Show SMILES CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	105	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]HEMADO from human A3 adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50137535 (CHEMBL3753698) Show SMILES CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	397	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 A2A adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50137535 (CHEMBL3753698) Show SMILES CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	801	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 A1 adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50137535 (CHEMBL3753698) Show SMILES CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human A2B adenosine receptor expressed in CHO cell membranes assessed as inhibition of NECA stimulated adenylyl cyclase activi...				Eur J Med Chem 108: 529-41 (2016) BindingDB Entry DOI: 10.7270/Q22R3THM
					More data for this Ligand-Target Pair