Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50369638'   

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))	BDBM50369638 (CHEMBL1790714) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C18H26ClN5O3/c19-18-22-16(21-11-6-4-2-1-3-5-7-11)15-17(23-18)24(10-20-15)14-8-12(26)13(9-25)27-14/h10-14,25-26H,1-9H2,(H,21,22,23)/t12-,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	659	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))	BDBM50369638 (CHEMBL1790714) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C18H26ClN5O3/c19-18-22-16(21-11-6-4-2-1-3-5-7-11)15-17(23-18)24(10-20-15)14-8-12(26)13(9-25)27-14/h10-14,25-26H,1-9H2,(H,21,22,23)/t12-,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41E+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