Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50032871'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM50032871 (CHEMBL3355686) Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(n[nH]1)-c1ccccc1 |r,wU:5.8,wD:11.11,2.1,(31.04,-42.98,;29.71,-43.75,;28.38,-42.98,;28.38,-41.44,;27.04,-40.67,;25.71,-41.44,;25.71,-42.98,;27.04,-43.75,;24.37,-40.67,;24.37,-39.13,;23.04,-41.44,;21.7,-40.67,;21.7,-39.13,;20.37,-38.36,;19.04,-39.13,;17.71,-38.36,;17.71,-36.82,;19.04,-36.05,;20.37,-36.82,;20.41,-41.51,;18.98,-40.96,;18.01,-42.15,;18.84,-43.44,;20.33,-43.05,;16.47,-42.07,;15.63,-43.36,;14.09,-43.28,;13.4,-41.91,;14.23,-40.62,;15.77,-40.7,)| Show InChI InChI=1S/C24H29N5O/c25-16-18-11-13-20(14-12-18)24(30)26-21(15-17-7-3-1-4-8-17)23-27-22(28-29-23)19-9-5-2-6-10-19/h1-10,18,20-21H,11-16,25H2,(H,26,30)(H,27,28,29)/t18-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically				J Med Chem 57: 9915-32 (2014) Article DOI: 10.1021/jm5010607 BindingDB Entry DOI: 10.7270/Q2RV0Q9S
					More data for this Ligand-Target Pair