Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50263200'   

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 (Homo sapiens (Human))	BDBM50263200 (CHEMBL4105473) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)-c3scc(C(=O)c4ccccc4)c3-c3cccc(c3)C(F)(F)F)ncnc12 |r| Show InChI InChI=1S/C41H39F3N6O6S/c42-41(43,44)28-12-8-11-27(19-28)31-29(33(52)24-9-4-3-5-10-24)21-57-36(31)25-13-15-26(16-14-25)39(55)46-18-7-2-1-6-17-45-37-32-38(48-22-47-37)50(23-49-32)40-35(54)34(53)30(20-51)56-40/h3-5,8-16,19,21-23,30,34-35,40,51,53-54H,1-2,6-7,17-18,20H2,(H,46,55)(H,45,47,48)/t30-,34-,35-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences , Monash University , Parkville , Victoria 3052 , Australia. Curated by ChEMBL					Assay Description Agonist activity at human A1AR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 10 mins...				J Med Chem 61: 2087-2103 (2018) Article DOI: 10.1021/acs.jmedchem.8b00047 BindingDB Entry DOI: 10.7270/Q21J9D7Z
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50263200 (CHEMBL4105473) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)-c3scc(C(=O)c4ccccc4)c3-c3cccc(c3)C(F)(F)F)ncnc12 |r| Show InChI InChI=1S/C41H39F3N6O6S/c42-41(43,44)28-12-8-11-27(19-28)31-29(33(52)24-9-4-3-5-10-24)21-57-36(31)25-13-15-26(16-14-25)39(55)46-18-7-2-1-6-17-45-37-32-38(48-22-47-37)50(23-49-32)40-35(54)34(53)30(20-51)56-40/h3-5,8-16,19,21-23,30,34-35,40,51,53-54H,1-2,6-7,17-18,20H2,(H,46,55)(H,45,47,48)/t30-,34-,35-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	562	n/a	n/a	n/a	n/a
Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences , Monash University , Parkville , Victoria 3052 , Australia. Curated by ChEMBL					Assay Description Agonist activity at human A1AR expressed in FlpIn-CHO cells assessed as intracellular calcium mobilization by Fluo-4 dye-based fluorescence assay				J Med Chem 61: 2087-2103 (2018) Article DOI: 10.1021/acs.jmedchem.8b00047 BindingDB Entry DOI: 10.7270/Q21J9D7Z
					More data for this Ligand-Target Pair