BDBM50138521 CHEMBL149790::Methyl-carbamic acid (2R,3S,4R)-5-{2-chloro-6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester

SMILES: CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12

InChI Key: InChIKey=DBIFUBZUVRBMCL-VVLOMEKLSA-N

Data: 1 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 1 hit for monomerid = 50138521   

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 (Homo sapiens (Human))	BDBM50138521 (CHEMBL149790 | Methyl-carbamic acid (2R,3S,4R)-5-{...) Show SMILES CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O6/c1-18-16(26)28-5-8-10(24)11(25)14(29-8)23-6-19-9-12(20-7-2-3-27-4-7)21-15(17)22-13(9)23/h6-8,10-11,14,24-25H,2-5H2,1H3,(H,18,26)(H,20,21,22)/t7?,8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair