BDBM50454673 CHEMBL2112620

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=GFUGOCNWMWOVEB-UNMKOGDSSA-N

Data: 3 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 3 hits for monomerid = 50454673   

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))	BDBM50454673 (CHEMBL2112620) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H26N6O4/c29-10-15-16(27-21(31)13-6-2-1-3-7-13)18(30)22(32-15)28-12-25-17-19(23-11-24-20(17)28)26-14-8-4-5-9-14/h1-3,6-7,11-12,14-16,18,22,29-30H,4-5,8-10H2,(H,27,31)(H,23,24,26)/t15-,16+,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454673 (CHEMBL2112620) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H26N6O4/c29-10-15-16(27-21(31)13-6-2-1-3-7-13)18(30)22(32-15)28-12-25-17-19(23-11-24-20(17)28)26-14-8-4-5-9-14/h1-3,6-7,11-12,14-16,18,22,29-30H,4-5,8-10H2,(H,27,31)(H,23,24,26)/t15-,16+,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50454673 (CHEMBL2112620) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C22H26N6O4/c29-10-15-16(27-21(31)13-6-2-1-3-7-13)18(30)22(32-15)28-12-25-17-19(23-11-24-20(17)28)26-14-8-4-5-9-14/h1-3,6-7,11-12,14-16,18,22,29-30H,4-5,8-10H2,(H,27,31)(H,23,24,26)/t15-,16+,18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair