BDBM50367364 CHEMBL603990

SMILES: CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OC)cc3)ncnc12

InChI Key: InChIKey=OLDGJQBBZSQQPX-FRLFKWGPSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50367364   

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 (Rattus norvegicus (rat))	BDBM50367364 (CHEMBL603990) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OC)cc3)ncnc12 |r| Show InChI InChI=1S/C19H22N6O5/c1-3-20-18(28)15-13(26)14(27)19(30-15)25-9-23-12-16(21-8-22-17(12)25)24-10-4-6-11(29-2)7-5-10/h4-9,13-15,19,26-27H,3H2,1-2H3,(H,20,28)(H,21,22,24)/t13-,14+,15-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	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
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367364 (CHEMBL603990) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OC)cc3)ncnc12 |r| Show InChI InChI=1S/C19H22N6O5/c1-3-20-18(28)15-13(26)14(27)19(30-15)25-9-23-12-16(21-8-22-17(12)25)24-10-4-6-11(29-2)7-5-10/h4-9,13-15,19,26-27H,3H2,1-2H3,(H,20,28)(H,21,22,24)/t13-,14+,15-,19?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.80E+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 A2 receptor (Homo sapiens (Human))	BDBM50367364 (CHEMBL603990) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OC)cc3)ncnc12 |r| Show InChI InChI=1S/C19H22N6O5/c1-3-20-18(28)15-13(26)14(27)19(30-15)25-9-23-12-16(21-8-22-17(12)25)24-10-4-6-11(29-2)7-5-10/h4-9,13-15,19,26-27H,3H2,1-2H3,(H,20,28)(H,21,22,24)/t13-,14+,15-,19?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against human platelet A2 adenosine receptor				J Med Chem 29: 1683-9 (1986) BindingDB Entry DOI: 10.7270/Q2Z89D0F
					More data for this Ligand-Target Pair