Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50187585'   

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))	BDBM50187585 (CHEMBL3827074) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H40N6O3/c1-3-5-16-33-25-24(26(35)34(28(33)36)17-6-4-2)32-19-9-18-31(27(32)29-25)22-10-12-23(13-11-22)37-21-20-30-14-7-8-15-30/h10-13H,3-9,14-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes				Bioorg Med Chem 24: 4347-4362 (2016) Article DOI: 10.1016/j.bmc.2016.07.028 BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50187585 (CHEMBL3827074) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H40N6O3/c1-3-5-16-33-25-24(26(35)34(28(33)36)17-6-4-2)32-19-9-18-31(27(32)29-25)22-10-12-23(13-11-22)37-21-20-30-14-7-8-15-30/h10-13H,3-9,14-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	658	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine receptor A1 expressed in CHO cell membranes				Bioorg Med Chem 24: 4347-4362 (2016) Article DOI: 10.1016/j.bmc.2016.07.028 BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair