null

SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12

InChI Key: InChIKey=PKUZHLZHLVHAIO-QYUDBREXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50122926   

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 A3 (Homo sapiens (Human))	BDBM50122926 (3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylme...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12 Show InChI InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity using [125I]-ABA against human Adenosine A3 receptor				J Med Chem 46: 353-5 (2003) Article DOI: 10.1021/jm0255724 BindingDB Entry DOI: 10.7270/Q2416WDM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50122926 (3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylme...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12 Show InChI InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity using [125I]-ABA against human Adenosine A1 receptor				J Med Chem 46: 353-5 (2003) Article DOI: 10.1021/jm0255724 BindingDB Entry DOI: 10.7270/Q2416WDM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50122926 (3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylme...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12 Show InChI InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of isoproterenol-stimulated cAMP accumulation in HEK 293 cells expressing human Adenosine A3 receptor				J Med Chem 46: 353-5 (2003) Article DOI: 10.1021/jm0255724 BindingDB Entry DOI: 10.7270/Q2416WDM
					More data for this Ligand-Target Pair