BDBM50367379 CHEMBL605239

SMILES: CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC

InChI Key: InChIKey=KYOZXNLNQXFXES-USDBNLMRSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50367379   

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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367379 (CHEMBL605239) Show SMILES CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC |r| Show InChI InChI=1S/C16H24N6O4/c1-4-8(5-2)21-13-9-14(19-6-18-13)22(7-20-9)16-11(24)10(23)12(26-16)15(25)17-3/h6-8,10-12,16,23-24H,4-5H2,1-3H3,(H,17,25)(H,18,19,21)/t10-,11+,12-,16?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activation				J Med Chem 29: 1683-9 (1986) BindingDB Entry DOI: 10.7270/Q2Z89D0F
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367379 (CHEMBL605239) Show SMILES CCC(CC)Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC |r| Show InChI InChI=1S/C16H24N6O4/c1-4-8(5-2)21-13-9-14(19-6-18-13)22(7-20-9)16-11(24)10(23)12(26-16)15(25)17-3/h6-8,10-12,16,23-24H,4-5H2,1-3H3,(H,17,25)(H,18,19,21)/t10-,11+,12-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against rat brain adenosine A1 receptor				J Med Chem 29: 1683-9 (1986) BindingDB Entry DOI: 10.7270/Q2Z89D0F
					More data for this Ligand-Target Pair