BDBM50149597 CHEMBL3771184

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CC5CC(C4)CC3C5)ncnc12

InChI Key: InChIKey=AMWMZSDDXCAKJT-WTKUHYMBSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149597   

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 A1 (Homo sapiens (Human))	BDBM50149597 (CHEMBL3771184) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CC5CC(C4)CC3C5)ncnc12 |r,wU:7.12,5.4,wD:8.8,10.11,TLB:24:23:19.20.18:27,17:18:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:19.20.24,24:19:22.23.25:27,(15.69,-2.49,;14.45,-2.59,;13.56,-1.31,;12.01,-1.44,;11.48,-2.57,;11.12,-.17,;9.56,-.13,;9.14,1.36,;10.39,2.25,;10.41,3.49,;11.63,1.31,;12.82,1.66,;7.63,1.76,;7.09,3.19,;5.53,3.12,;5.13,1.62,;3.73,.92,;2.42,1.78,;1.02,1.07,;1.12,-.36,;-.4,-.89,;-1.87,-.71,;-2.28,-2.13,;-1.05,-1.34,;.37,-1.61,;-1.05,.45,;-.29,1.71,;-2.05,.73,;3.65,-.65,;4.96,-1.49,;6.37,-.78,;6.43,.78,)| Show InChI InChI=1S/C22H30N6O4/c1-2-23-21(31)18-16(29)17(30)22(32-18)28-9-26-15-19(24-8-25-20(15)28)27-14-12-4-10-3-11(6-12)7-13(14)5-10/h8-14,16-18,22,29-30H,2-7H2,1H3,(H,23,31)(H,24,25,27)/t10?,11?,12?,13?,14?,16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m...				J Med Chem 59: 947-64 (2016) BindingDB Entry DOI: 10.7270/Q2FX7CBN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50149597 (CHEMBL3771184) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CC5CC(C4)CC3C5)ncnc12 |r,wU:7.12,5.4,wD:8.8,10.11,TLB:24:23:19.20.18:27,17:18:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:19.20.24,24:19:22.23.25:27,(15.69,-2.49,;14.45,-2.59,;13.56,-1.31,;12.01,-1.44,;11.48,-2.57,;11.12,-.17,;9.56,-.13,;9.14,1.36,;10.39,2.25,;10.41,3.49,;11.63,1.31,;12.82,1.66,;7.63,1.76,;7.09,3.19,;5.53,3.12,;5.13,1.62,;3.73,.92,;2.42,1.78,;1.02,1.07,;1.12,-.36,;-.4,-.89,;-1.87,-.71,;-2.28,-2.13,;-1.05,-1.34,;.37,-1.61,;-1.05,.45,;-.29,1.71,;-2.05,.73,;3.65,-.65,;4.96,-1.49,;6.37,-.78,;6.43,.78,)| Show InChI InChI=1S/C22H30N6O4/c1-2-23-21(31)18-16(29)17(30)22(32-18)28-9-26-15-19(24-8-25-20(15)28)27-14-12-4-10-3-11(6-12)7-13(14)5-10/h8-14,16-18,22,29-30H,2-7H2,1H3,(H,23,31)(H,24,25,27)/t10?,11?,12?,13?,14?,16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Agonist activity at human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 after 16 hrs by beta galactosidase r...				J Med Chem 59: 947-64 (2016) BindingDB Entry DOI: 10.7270/Q2FX7CBN
					More data for this Ligand-Target Pair