BDBM50366485 CHEMBL610970

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(I)nc12

InChI Key: InChIKey=LXHOSGMPFDCRKI-OYBGHCQBSA-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 = 50366485   

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))	BDBM50366485 (CHEMBL610970) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(I)nc12 |r| Show InChI InChI=1S/C15H21IN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA displacement.				Bioorg Med Chem Lett 7: 3085-3090 (1997) Article DOI: 10.1016/S0960-894X(97)10177-9 BindingDB Entry DOI: 10.7270/Q2SQ90W2
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50366485 (CHEMBL610970) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(I)nc12 |r| Show InChI InChI=1S/C15H21IN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2 receptor of rat striatal membranes				Bioorg Med Chem Lett 7: 3085-3090 (1997) Article DOI: 10.1016/S0960-894X(97)10177-9 BindingDB Entry DOI: 10.7270/Q2SQ90W2
					More data for this Ligand-Target Pair