BDBM50367413 CHEMBL603570

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCC(c3ccccc3)c3ccccc3)ncnc12

InChI Key: InChIKey=HVBSBIIYYXQMFP-XZSCCTSWSA-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 = 50367413   

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))	BDBM50367413 (CHEMBL603570) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCC(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C27H31N5O4/c33-15-21-23(34)24(35)27(36-21)32-17-31-22-25(29-16-30-26(22)32)28-14-8-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,16-17,20-21,23-24,27,33-35H,7-8,13-15H2,(H,28,29,30)/t21-,23-,24-,27?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367413 (CHEMBL603570) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCC(c3ccccc3)c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C27H31N5O4/c33-15-21-23(34)24(35)27(36-21)32-17-31-22-25(29-16-30-26(22)32)28-14-8-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,16-17,20-21,23-24,27,33-35H,7-8,13-15H2,(H,28,29,30)/t21-,23-,24-,27?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division Curated by ChEMBL					Assay Description Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide)...				J Med Chem 30: 1709-11 (1987) BindingDB Entry DOI: 10.7270/Q2SJ1M5B
					More data for this Ligand-Target Pair