BDBM50531739 MA-1::TIPIRACIL::TPI (freebase)::Tipiracil

SMILES: Oc1nc(O)c(Cl)c(CN2CCCC2=N)n1

InChI Key: InChIKey=QQHMKNYGKVVGCZ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50531739   

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
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531739 (MA-1 | TIPIRACIL | TPI (freebase) | Tipiracil) Show SMILES Oc1nc(O)c(Cl)c(CN2CCCC2=N)n1 Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Competitive inhibition of thymidine phosphorylase (unknown origin)				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM50531739 (MA-1 | TIPIRACIL | TPI (freebase) | Tipiracil) Show SMILES Oc1nc(O)c(Cl)c(CN2CCCC2=N)n1 Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of thymidine phosphorylase (unknown origin)				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305
					More data for this Ligand-Target Pair