Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50136618'   

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))	BDBM50136618 (CHEMBL3752251) Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C27H21ClN8O4/c28-20-9-12-23(36-16-29-34-35-36)19(15-20)8-13-24(37)31-22(14-17-4-2-1-3-5-17)26(38)30-21-10-6-18(7-11-21)25-32-27(39)40-33-25/h1-13,15-16,22H,14H2,(H,30,38)(H,31,37)(H,32,33,39)/b13-8+/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy...				Bioorg Med Chem Lett 26: 472-8 (2016) Article DOI: 10.1016/j.bmcl.2015.11.089 BindingDB Entry DOI: 10.7270/Q27H1MFM
					More data for this Ligand-Target Pair