BDBM50367380 CHEMBL605449

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

InChI Key: InChIKey=KDKRQJIYAKIOMH-BORQHUKESA-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 = 50367380   

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))	BDBM50367380 (CHEMBL605449) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r| Show InChI InChI=1S/C17H26N6O4/c1-4-9(5-2)22-14-10-15(20-7-19-14)23(8-21-10)17-12(25)11(24)13(27-17)16(26)18-6-3/h7-9,11-13,17,24-25H,4-6H2,1-3H3,(H,18,26)(H,19,20,22)/t11-,12+,13-,17?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	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))	BDBM50367380 (CHEMBL605449) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r| Show InChI InChI=1S/C17H26N6O4/c1-4-9(5-2)22-14-10-15(20-7-19-14)23(8-21-10)17-12(25)11(24)13(27-17)16(26)18-6-3/h7-9,11-13,17,24-25H,4-6H2,1-3H3,(H,18,26)(H,19,20,22)/t11-,12+,13-,17?/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	4.40E+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))	BDBM50367380 (CHEMBL605449) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12 |r| Show InChI InChI=1S/C17H26N6O4/c1-4-9(5-2)22-14-10-15(20-7-19-14)23(8-21-10)17-12(25)11(24)13(27-17)16(26)18-6-3/h7-9,11-13,17,24-25H,4-6H2,1-3H3,(H,18,26)(H,19,20,22)/t11-,12+,13-,17?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.20E+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