BDBM50367599 CHEMBL609501

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4CCc4ccccc34)ncnc12

InChI Key: InChIKey=QKVJNSCEBMJEIJ-CUVLRLMBSA-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 = 50367599   

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))	BDBM50367599 (CHEMBL609501) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C26H27N5O4/c32-12-20-22(33)23(34)26(35-20)31-14-30-21-24(28-13-29-25(21)31)27-11-19-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)19/h1-8,13-14,19-20,22-23,26,32-34H,9-12H2,(H,27,28,29)/t20-,22-,23-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	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 on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367599 (CHEMBL609501) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C26H27N5O4/c32-12-20-22(33)23(34)26(35-20)31-14-30-21-24(28-13-29-25(21)31)27-11-19-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)19/h1-8,13-14,19-20,22-23,26,32-34H,9-12H2,(H,27,28,29)/t20-,22-,23-,26?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	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 on rat striatal membrane using [3H]NECA as radioligand				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair