BDBM50443014 CHEMBL3086521

SMILES: Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N

InChI Key: InChIKey=NCOCXHNMVOGQNO-UHFFFAOYSA-N

Data: 1 IC50  4 Kd

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 5 hits for monomerid = 50443014   

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
Uridine phosphorylase 1 (Homo sapiens (Human))	BDBM50443014 (CHEMBL3086521) Show SMILES Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N Show InChI InChI=1S/C10H13N3O3/c1-6-7(4-11)9(15)13-10(16)8(6)5-12-2-3-14/h12,14H,2-3,5H2,1H3,(H2,13,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a
Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calori...				J Med Chem 56: 8892-902 (2013) Article DOI: 10.1021/jm401389u BindingDB Entry DOI: 10.7270/Q2HX1F44
					More data for this Ligand-Target Pair
Uridine phosphorylase 1 (Homo sapiens (Human))	BDBM50443014 (CHEMBL3086521) Show SMILES Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N Show InChI InChI=1S/C10H13N3O3/c1-6-7(4-11)9(15)13-10(16)8(6)5-12-2-3-14/h12,14H,2-3,5H2,1H3,(H2,13,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorim...				J Med Chem 56: 8892-902 (2013) Article DOI: 10.1021/jm401389u BindingDB Entry DOI: 10.7270/Q2HX1F44
					More data for this Ligand-Target Pair
Thymidine Phosphorylase (TP) (Homo sapiens (Human))	BDBM50443014 (CHEMBL3086521) Show SMILES Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N Show InChI InChI=1S/C10H13N3O3/c1-6-7(4-11)9(15)13-10(16)8(6)5-12-2-3-14/h12,14H,2-3,5H2,1H3,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Inhibition of human thymidine phosphorylase				J Med Chem 56: 8892-902 (2013) Article DOI: 10.1021/jm401389u BindingDB Entry DOI: 10.7270/Q2HX1F44
					More data for this Ligand-Target Pair
Uridine phosphorylase 1 (Homo sapiens (Human))	BDBM50443014 (CHEMBL3086521) Show SMILES Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N Show InChI InChI=1S/C10H13N3O3/c1-6-7(4-11)9(15)13-10(16)8(6)5-12-2-3-14/h12,14H,2-3,5H2,1H3,(H2,13,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to human recombinant UP1 expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis				J Med Chem 56: 8892-902 (2013) Article DOI: 10.1021/jm401389u BindingDB Entry DOI: 10.7270/Q2HX1F44
					More data for this Ligand-Target Pair
Uridine phosphorylase 1 (Homo sapiens (Human))	BDBM50443014 (CHEMBL3086521) Show SMILES Cc1c(CNCCO)c(O)[nH]c(=O)c1C#N Show InChI InChI=1S/C10H13N3O3/c1-6-7(4-11)9(15)13-10(16)8(6)5-12-2-3-14/h12,14H,2-3,5H2,1H3,(H2,13,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a
Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to human recombinant UP1-inorganic phosphate binary complex expressed in Escherichia coli Rosetta (DE3) by isothermal titration calo...				J Med Chem 56: 8892-902 (2013) Article DOI: 10.1021/jm401389u BindingDB Entry DOI: 10.7270/Q2HX1F44
					More data for this Ligand-Target Pair