BDBM50367597 CHEMBL604617

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc4ccccc34)ncnc12

InChI Key: InChIKey=HXAFMULMJMMWEU-BEBASYGKSA-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 = 50367597   

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))	BDBM50367597 (CHEMBL604617) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C22H23N5O4/c28-10-16-18(29)19(30)22(31-16)27-12-26-17-20(24-11-25-21(17)27)23-9-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,11-12,16,18-19,22,28-30H,8-10H2,(H,23,24,25)/t16-,18-,19-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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))	BDBM50367597 (CHEMBL604617) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C22H23N5O4/c28-10-16-18(29)19(30)22(31-16)27-12-26-17-20(24-11-25-21(17)27)23-9-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,11-12,16,18-19,22,28-30H,8-10H2,(H,23,24,25)/t16-,18-,19-,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	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