BDBM50370922 CHEMBL1237041

SMILES: Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4n[nH]cc34)CC[C@@H]2C1

InChI Key: InChIKey=NAGVXQSIKBKEQK-UONOGXRCSA-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 = 50370922   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50370922 (CHEMBL1237041) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4n[nH]cc34)CC[C@@H]2C1 |r| Show InChI InChI=1S/C22H24N12O2/c23-20-28-21(29-22-27-18(31-34(20)22)16-2-1-7-35-16)33-6-5-32-9-13(3-4-14(32)10-33)11-36-19-15-8-26-30-17(15)24-12-25-19/h1-2,7-8,12-14H,3-6,9-11H2,(H,24,25,26,30)(H2,23,27,28,29,31)/t13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50370922 (CHEMBL1237041) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4n[nH]cc34)CC[C@@H]2C1 |r| Show InChI InChI=1S/C22H24N12O2/c23-20-28-21(29-22-27-18(31-34(20)22)16-2-1-7-35-16)33-6-5-32-9-13(3-4-14(32)10-33)11-36-19-15-8-26-30-17(15)24-12-25-19/h1-2,7-8,12-14H,3-6,9-11H2,(H,24,25,26,30)(H2,23,27,28,29,31)/t13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair