BDBM50368199 CHEMBL2235610::CHEMBL605168

SMILES: CCCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=OWQWQBMVZOWMLP-JVNGHFGISA-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 = 50368199   

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))	BDBM50368199 (CHEMBL2235610 | CHEMBL605168) Show SMILES CCCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H31N5O5/c1-2-3-4-9-33-15-6-7-16-14(10-15)5-8-17(16)28-22-19-23(26-12-25-22)29(13-27-19)24-21(32)20(31)18(11-30)34-24/h6-7,10,12-13,17-18,20-21,24,30-32H,2-5,8-9,11H2,1H3,(H,25,26,28)/t17?,18-,20-,21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	104	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))	BDBM50368199 (CHEMBL2235610 | CHEMBL605168) Show SMILES CCCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H31N5O5/c1-2-3-4-9-33-15-6-7-16-14(10-15)5-8-17(16)28-22-19-23(26-12-25-22)29(13-27-19)24-21(32)20(31)18(11-30)34-24/h6-7,10,12-13,17-18,20-21,24,30-32H,2-5,8-9,11H2,1H3,(H,25,26,28)/t17?,18-,20-,21-,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.25E+4	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