BDBM50410228 CHEMBL2113438

SMILES: CCCNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=JKBPIGWNJYTKKJ-LSCFUAHRSA-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 = 50410228   

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
Equilibrative Nucleoside Transporter 1 (ENT1) (Homo sapiens (Human))	BDBM50410228 (CHEMBL2113438) Show SMILES CCCNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H28N6O4/c1-2-7-19-18-23-12-15(22-10-5-3-4-6-10)20-9-21-16(12)24(18)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,2-8H2,1H3,(H,19,23)(H,20,21,22)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes				J Med Chem 48: 321-9 (2005) Article DOI: 10.1021/jm049303k BindingDB Entry DOI: 10.7270/Q29024J0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50410228 (CHEMBL2113438) Show SMILES CCCNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H28N6O4/c1-2-7-19-18-23-12-15(22-10-5-3-4-6-10)20-9-21-16(12)24(18)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,2-8H2,1H3,(H,19,23)(H,20,21,22)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX (without GTP) from Adenosine A1 receptor of rat cortical membrane				J Med Chem 39: 1463-71 (1996) Article DOI: 10.1021/jm950267m BindingDB Entry DOI: 10.7270/Q2WH2QNT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50410228 (CHEMBL2113438) Show SMILES CCCNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H28N6O4/c1-2-7-19-18-23-12-15(22-10-5-3-4-6-10)20-9-21-16(12)24(18)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,2-8H2,1H3,(H,19,23)(H,20,21,22)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX (with GTP) from Adenosine A1 receptor of rat cortical membrane				J Med Chem 39: 1463-71 (1996) Article DOI: 10.1021/jm950267m BindingDB Entry DOI: 10.7270/Q2WH2QNT
					More data for this Ligand-Target Pair