BDBM50142683 CHEMBL1801896

SMILES: Clc1ccc2Oc3ccccc3Nc2c1

InChI Key: InChIKey=ZLPPJJZCOCPXDE-UHFFFAOYSA-N

Data: 2 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 = 50142683   

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
Tubulin beta chain (Sus scrofa)	BDBM50142683 (CHEMBL1801896) Show SMILES Clc1ccc2Oc3ccccc3Nc2c1 Show InChI InChI=1S/C12H8ClNO/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig tubulin polymerization determined after 45 mins at 37 degC by turbidimetric analysis				J Med Chem 54: 4247-63 (2011) Article DOI: 10.1021/jm200436t BindingDB Entry DOI: 10.7270/Q2BK1G7W
					More data for this Ligand-Target Pair
Trypanothione Reductase (TryR) (Trypanosoma brucei brucei)	BDBM50142683 (CHEMBL1801896) Show SMILES Clc1ccc2Oc3ccccc3Nc2c1 Show InChI InChI=1S/C12H8ClNO/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wuerzburg Curated by ChEMBL					Assay Description Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...				Eur J Med Chem 108: 436-43 (2016) BindingDB Entry DOI: 10.7270/Q2GH9KTB
					More data for this Ligand-Target Pair