BDBM50114492 2-{2-[2-(1-Amino-isoquinolin-7-yloxy)-ethyl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-benzenesulfonamide::CHEMBL46653

SMILES: Nc1nccc2ccc(OCCN3Cc4cc(ccc4C3=O)-c3ccccc3S(N)(=O)=O)cc12

InChI Key: InChIKey=RERMKTBMBDUSKU-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50114492   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50114492 (2-{2-[2-(1-Amino-isoquinolin-7-yloxy)-ethyl]-1-oxo...) Show SMILES Nc1nccc2ccc(OCCN3Cc4cc(ccc4C3=O)-c3ccccc3S(N)(=O)=O)cc12 Show InChI InChI=1S/C25H22N4O4S/c26-24-22-14-19(7-5-16(22)9-10-28-24)33-12-11-29-15-18-13-17(6-8-21(18)25(29)30)20-3-1-2-4-23(20)34(27,31)32/h1-10,13-14H,11-12,15H2,(H2,26,28)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory activity against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1657-61 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q2T
					More data for this Ligand-Target Pair