Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM413719'   

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))	BDBM413719 (4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES CCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C25H23ClN6O5/c1-3-4-21(24(34)28-17-8-5-15(6-9-17)25(35)36)31-13-22(37-2)19(12-23(31)33)18-11-16(26)7-10-20(18)32-14-27-29-30-32/h5-14,21H,3-4H2,1-2H3,(H,28,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413719 (4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...) Show SMILES CCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C25H23ClN6O5/c1-3-4-21(24(34)28-17-8-5-15(6-9-17)25(35)36)31-13-22(37-2)19(12-23(31)33)18-11-16(26)7-10-20(18)32-14-27-29-30-32/h5-14,21H,3-4H2,1-2H3,(H,28,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...				US Patent US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair