BDBM50452574 CHEMBL2112183

SMILES: [H][C@]12CC[C@]([H])(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=YKPCEENRZZBDMC-MIACGEQZSA-N

Data: 2 KI

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 = 50452574   

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 (Rattus norvegicus (rat))	BDBM50452574 (CHEMBL2112183) Show SMILES [H][C@]12CC[C@]([H])(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8-,9+,10?,11+,13+,14+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor using [3H]CHA in rat brain membranes				J Med Chem 32: 8-11 (1989) BindingDB Entry DOI: 10.7270/Q2TX3FZF
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50452574 (CHEMBL2112183) Show SMILES [H][C@]12CC[C@]([H])(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8-,9+,10?,11+,13+,14+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor using [3H]NECA with 50 nM CPA in rat striatal brain membranes				J Med Chem 32: 8-11 (1989) BindingDB Entry DOI: 10.7270/Q2TX3FZF
					More data for this Ligand-Target Pair