BDBM50372538 CHEMBL411027

SMILES: CN(C1CCN(CC1)c1ccnc(N)c1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1

InChI Key: InChIKey=PDIYLGYZWUIGJD-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 = 50372538   

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))	BDBM50372538 (CHEMBL411027) Show SMILES CN(C1CCN(CC1)c1ccnc(N)c1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1 Show InChI InChI=1S/C24H27ClN4O3S/c1-28(20-7-11-29(12-8-20)21-6-10-27-23(26)16-21)24(30)9-13-33(31,32)22-5-3-17-14-19(25)4-2-18(17)15-22/h2-6,10,14-16,20H,7-9,11-13H2,1H3,(H2,26,27)	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	79	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