BDBM50452322 CHEMBL2093998

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12

InChI Key: InChIKey=NRBJUWFKSUZISJ-UQDAOCEXSA-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 = 50452322   

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))	BDBM50452322 (CHEMBL2093998) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C21H26N6O4/c1-3-22-20(30)17-15(28)16(29)21(31-17)27-11-25-14-18(23-10-24-19(14)27)26-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,15-17,21,28-29H,3,9H2,1-2H3,(H,22,30)(H,23,24,26)/t12-,15+,16-,17+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	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 (Homo sapiens (Human))	BDBM50452322 (CHEMBL2093998) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C21H26N6O4/c1-3-22-20(30)17-15(28)16(29)21(31-17)27-11-25-14-18(23-10-24-19(14)27)26-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,15-17,21,28-29H,3,9H2,1-2H3,(H,22,30)(H,23,24,26)/t12-,15+,16-,17+,21-/m1/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	3.10E+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
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50452322 (CHEMBL2093998) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C21H26N6O4/c1-3-22-20(30)17-15(28)16(29)21(31-17)27-11-25-14-18(23-10-24-19(14)27)26-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,15-17,21,28-29H,3,9H2,1-2H3,(H,22,30)(H,23,24,26)/t12-,15+,16-,17+,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	980	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