BDBM50453676 CHEMBL2112077

SMILES: C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key: InChIKey=NQKPQDMRLWLHNR-JTQLQIEISA-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 = 50453676   

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))	BDBM50453676 (CHEMBL2112077) Show SMILES C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C15H16IN5O/c1-10(7-22)21-9-20-13-14(18-8-19-15(13)21)17-6-11-3-2-4-12(16)5-11/h2-5,8-10,22H,6-7H2,1H3,(H,17,18,19)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.91E+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 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))	BDBM50453676 (CHEMBL2112077) Show SMILES C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C15H16IN5O/c1-10(7-22)21-9-20-13-14(18-8-19-15(13)21)17-6-11-3-2-4-12(16)5-11/h2-5,8-10,22H,6-7H2,1H3,(H,17,18,19)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.18E+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 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
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50453676 (CHEMBL2112077) Show SMILES C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C15H16IN5O/c1-10(7-22)21-9-20-13-14(18-8-19-15(13)21)17-6-11-3-2-4-12(16)5-11/h2-5,8-10,22H,6-7H2,1H3,(H,17,18,19)/t10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.42E+5	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