BDBM50292717 5'-deoxy-5'-N-piperidinothymidine::5'-deoxy-5'-piperidin-1-ylthymidine::CHEMBL460910

SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCCCC3)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=GMOUOGHZJCSNOZ-YNEHKIRRSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50292717   

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
CAM-RNase A (Bison bison (American bison))	BDBM50292717 (5'-deoxy-5'-N-piperidinothymidine | 5'-deoxy-5'-pi...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCCCC3)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(22-13)9-17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.96E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (crystal)