BDBM50453665 CHEMBL2113415

SMILES: O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12

InChI Key: InChIKey=OPKBULKSQYNGHO-XDMRBOTDSA-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 = 50453665   

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 A2a and A3 (Rattus norvegicus)	BDBM50453665 (CHEMBL2113415) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H13ClIN5O4/c17-16-21-12(20-14(26)7-2-1-3-8(18)4-7)10-13(22-16)23(6-19-10)15-11(25)9(24)5-27-15/h1-4,6,9,11,15,24-25H,5H2,(H,20,21,22,26)/t9-,11-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	276	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 against adenosine A3 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453665 (CHEMBL2113415) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H13ClIN5O4/c17-16-21-12(20-14(26)7-2-1-3-8(18)4-7)10-13(22-16)23(6-19-10)15-11(25)9(24)5-27-15/h1-4,6,9,11,15,24-25H,5H2,(H,20,21,22,26)/t9-,11-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	811	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 against adenosine A1 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50453665 (CHEMBL2113415) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H13ClIN5O4/c17-16-21-12(20-14(26)7-2-1-3-8(18)4-7)10-13(22-16)23(6-19-10)15-11(25)9(24)5-27-15/h1-4,6,9,11,15,24-25H,5H2,(H,20,21,22,26)/t9-,11-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.89E+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 against adenosine A2A receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair