BDBM50369636 CHEMBL1790738

SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CC3)ncnc12

InChI Key: InChIKey=XJXYMDXJBRCQMC-IVZWLZJFSA-N

Data: 2 KI

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 = 50369636   

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))	BDBM50369636 (CHEMBL1790738) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 Show InChI InChI=1S/C13H17N5O3/c19-4-9-8(20)3-10(21-9)18-6-16-11-12(17-7-1-2-7)14-5-15-13(11)18/h5-10,19-20H,1-4H2,(H,14,15,17)/t8-,9+,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50369636 (CHEMBL1790738) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 Show InChI InChI=1S/C13H17N5O3/c19-4-9-8(20)3-10(21-9)18-6-16-11-12(17-7-1-2-7)14-5-15-13(11)18/h5-10,19-20H,1-4H2,(H,14,15,17)/t8-,9+,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair