BDBM50369628 CHEMBL1790735

SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12

InChI Key: InChIKey=RHYFTJDTZCPQKS-HBNTYKKESA-N

Data: 2 KI  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 3 hits for monomerid = 50369628   

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))	BDBM50369628 (CHEMBL1790735) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 Show InChI InChI=1S/C14H19N5O3/c20-5-10-9(21)4-11(22-10)19-7-17-12-13(15-6-16-14(12)19)18-8-2-1-3-8/h6-11,20-21H,1-5H2,(H,15,16,18)/t9-,10+,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	524	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))	BDBM50369628 (CHEMBL1790735) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 Show InChI InChI=1S/C14H19N5O3/c20-5-10-9(21)4-11(22-10)19-7-17-12-13(15-6-16-14(12)19)18-8-2-1-3-8/h6-11,20-21H,1-5H2,(H,15,16,18)/t9-,10+,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.36E+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 (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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50369628 (CHEMBL1790735) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 Show InChI InChI=1S/C14H19N5O3/c20-5-10-9(21)4-11(22-10)19-7-17-12-13(15-6-16-14(12)19)18-8-2-1-3-8/h6-11,20-21H,1-5H2,(H,15,16,18)/t9-,10+,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.11E+3	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair