BDBM50368221 CHEMBL2235583::CHEMBL603936

SMILES: CCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=RIDRKEKFAXCXMM-KHMFTSBHSA-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 = 50368221   

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))	BDBM50368221 (CHEMBL2235583 | CHEMBL603936) Show SMILES CCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H27N5O5/c1-2-31-15-8-4-5-12-13(15)6-3-7-14(12)26-20-17-21(24-10-23-20)27(11-25-17)22-19(30)18(29)16(9-28)32-22/h4-5,8,10-11,14,16,18-19,22,28-30H,2-3,6-7,9H2,1H3,(H,23,24,26)/t14?,16-,18-,19-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	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 towards adenosine A1 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50368221 (CHEMBL2235583 | CHEMBL603936) Show SMILES CCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H27N5O5/c1-2-31-15-8-4-5-12-13(15)6-3-7-14(12)26-20-17-21(24-10-23-20)27(11-25-17)22-19(30)18(29)16(9-28)32-22/h4-5,8,10-11,14,16,18-19,22,28-30H,2-3,6-7,9H2,1H3,(H,23,24,26)/t14?,16-,18-,19-,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	396	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 towards adenosine A2 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair