BDBM50366947 BDBM50413737::CHEMBL512162::CHEMBL610941

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(I)cc3)ncnc12

InChI Key: InChIKey=ZWTASWYWADBRSR-IKYDMHQPSA-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 = 50366947   

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))	BDBM50366947 (BDBM50413737 | CHEMBL512162 | CHEMBL610941) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(I)cc3)ncnc12 |r| Show InChI InChI=1S/C17H17IN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of human ENT1				Bioorg Med Chem Lett 19: 314-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.092 BindingDB Entry DOI: 10.7270/Q2H996F3
					More data for this Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1) (Homo sapiens (Human))	BDBM50366947 (BDBM50413737 | CHEMBL512162 | CHEMBL610941) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(I)cc3)ncnc12 |r| Show InChI InChI=1S/C17H17IN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/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	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Displacement of 5-(SAENTA)-X8-fluorescein from K562 cell nucleoside transporter				Bioorg Med Chem Lett 14: 2257-60 (2004) Article DOI: 10.1016/j.bmcl.2004.02.016 BindingDB Entry DOI: 10.7270/Q2NK3FKH
					More data for this Ligand-Target Pair