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SMILES: Nc1nc2nc(cnc2c(=O)[nH]1)C(O)=O

InChI Key: InChIKey=NZLJLZVXWBEGCE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50351569   

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
Ricin (Ricinus communis)	BDBM50351569 (CHEMBL1738820) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(O)=O Show InChI InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ...				Eur J Med Chem 46: 3608-15 (2011) Article DOI: 10.1016/j.ejmech.2011.05.025 BindingDB Entry DOI: 10.7270/Q2D21Z00
					More data for this Ligand-Target Pair				3D Structure (docked)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50351569 (CHEMBL1738820) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(O)=O Show InChI InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents		n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ricin (Ricinus communis)	BDBM50351569 (CHEMBL1738820) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(O)=O Show InChI InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay				ACS Med Chem Lett 3: 588-591 (2012) Article DOI: 10.1021/ml300099t BindingDB Entry DOI: 10.7270/Q2N29Z7B
					More data for this Ligand-Target Pair				3D Structure (docked)