BDBM50112195 CHEMBL443741::N-[5-(6-Cyclopentylamino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl]-4-isopropyl-benzamide

SMILES: CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=RTFXJXUUFKHDPX-XDSPWSPCSA-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 = 50112195   

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))	BDBM50112195 (CHEMBL443741 | N-[5-(6-Cyclopentylamino-purin-9-yl...) Show SMILES CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C25H32N6O4/c1-14(2)15-7-9-16(10-8-15)24(34)30-19-18(11-32)35-25(21(19)33)31-13-28-20-22(26-12-27-23(20)31)29-17-5-3-4-6-17/h7-10,12-14,17-19,21,25,32-33H,3-6,11H2,1-2H3,(H,30,34)(H,26,27,29)/t18-,19+,21-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Binding affinity at rat Adenosine A1 receptor in the absence of GTP				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50112195 (CHEMBL443741 | N-[5-(6-Cyclopentylamino-purin-9-yl...) Show SMILES CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C25H32N6O4/c1-14(2)15-7-9-16(10-8-15)24(34)30-19-18(11-32)35-25(21(19)33)31-13-28-20-22(26-12-27-23(20)31)29-17-5-3-4-6-17/h7-10,12-14,17-19,21,25,32-33H,3-6,11H2,1-2H3,(H,30,34)(H,26,27,29)/t18-,19+,21-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Binding affinity at rat Adenosine A2A receptor				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
					More data for this Ligand-Target Pair