Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM413727'   

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))	BDBM413727 ((2S)-2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	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))	BDBM413727 ((2S)-2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	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