BDBM429521 med.21724, Compound Gemcitabine

SMILES: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1

InChI Key: InChIKey=SDUQYLNIPVEERB-QPPQHZFASA-N

Data: 1 IC50  2 EC50

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 429521   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
3C-like proteinase (MERS-CoV)	BDBM429521 (med.21724, Compound Gemcitabine) Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 Show InChI InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1	PDB MMDB UniProtKB/TrEMBL GoogleScholar	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM429521 (med.21724, Compound Gemcitabine) Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 Show InChI InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase MCE KEGG PC cid PC sid PDB UniChem	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Substrate activity at ENT1 in human BXPC-3 cells assessed as inhibition of cell growth pretreated with ENT1 inhibitor nitrobenzylthioinosine for 5 mi...				RSC Med Chem 11: 268-273 (2020)
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429521 (med.21724, Compound Gemcitabine) Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 Show InChI InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.95E+3	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair