BDBM50406548 CHEMBL2113394

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12

InChI Key: InChIKey=OMVJORAYQIJNSS-PNHWDRBUSA-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 = 50406548   

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 deaminase (Bos taurus (bovine))	BDBM50406548 (CHEMBL2113394) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12 |r| Show InChI InChI=1S/C11H14N4O5/c16-3-6-8(17)9(18)11(20-6)15-4-13-7-5(14-19)1-2-12-10(7)15/h1-2,4,6,8-9,11,16-19H,3H2,(H,12,14)/t6-,8-,9-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Adenosine deaminase from calf intestine.				J Med Chem 34: 2226-30 (1991) BindingDB Entry DOI: 10.7270/Q2CZ37S1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50406548 (CHEMBL2113394) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12 |r| Show InChI InChI=1S/C11H14N4O5/c16-3-6-8(17)9(18)11(20-6)15-4-13-7-5(14-19)1-2-12-10(7)15/h1-2,4,6,8-9,11,16-19H,3H2,(H,12,14)/t6-,8-,9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand.				J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50406548 (CHEMBL2113394) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12 |r| Show InChI InChI=1S/C11H14N4O5/c16-3-6-8(17)9(18)11(20-6)15-4-13-7-5(14-19)1-2-12-10(7)15/h1-2,4,6,8-9,11,16-19H,3H2,(H,12,14)/t6-,8-,9-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand				J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN
					More data for this Ligand-Target Pair