Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50369631'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50369631 (CHEMBL1790734) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O3/c16-15-19-13(18-8-3-1-2-4-8)12-14(20-15)21(7-17-12)11-5-9(23)10(6-22)24-11/h7-11,22-23H,1-6H2,(H,18,19,20)/t9-,10+,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	154	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))	BDBM50369631 (CHEMBL1790734) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O3/c16-15-19-13(18-8-3-1-2-4-8)12-14(20-15)21(7-17-12)11-5-9(23)10(6-22)24-11/h7-11,22-23H,1-6H2,(H,18,19,20)/t9-,10+,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.32E+3	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))	BDBM50369631 (CHEMBL1790734) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O3/c16-15-19-13(18-8-3-1-2-4-8)12-14(20-15)21(7-17-12)11-5-9(23)10(6-22)24-11/h7-11,22-23H,1-6H2,(H,18,19,20)/t9-,10+,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.56E+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