BDBM50281136 (2R,3S,4R,5R)-2-Hydroxymethyl-5-[2-iodo-6-(pyrrolidin-1-ylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL91894

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)nc(I)nc12

InChI Key: InChIKey=VWSMQPRPOXQJRH-QYVSTXNMSA-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 = 50281136   

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))	BDBM50281136 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-[2-iodo-6-(pyrroli...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)nc(I)nc12 Show InChI InChI=1S/C14H19IN6O4/c15-14-17-11(19-20-3-1-2-4-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)25-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50281136 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-[2-iodo-6-(pyrroli...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)nc(I)nc12 Show InChI InChI=1S/C14H19IN6O4/c15-14-17-11(19-20-3-1-2-4-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)25-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A2 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair