BDBM50372540 CHEMBL429936

SMILES: NCCN(C1CCN(CC1)c1ccncc1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1

InChI Key: InChIKey=VLKVNRAHZUFUBY-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 = 50372540   

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))	BDBM50372540 (CHEMBL429936) Show SMILES NCCN(C1CCN(CC1)c1ccncc1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1 Show InChI InChI=1S/C25H29ClN4O3S/c26-21-3-1-20-18-24(4-2-19(20)17-21)34(32,33)16-9-25(31)30(15-10-27)23-7-13-29(14-8-23)22-5-11-28-12-6-22/h1-6,11-12,17-18,23H,7-10,13-16,27H2	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	95	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem 16: 2243-60 (2008) Article DOI: 10.1016/j.bmc.2007.11.073 BindingDB Entry DOI: 10.7270/Q2ZC83QS
					More data for this Ligand-Target Pair