Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM476514'   

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 XII (Homo sapiens (Human))	BDBM476514 ((2S)-N-(3-chlorobenzyl)-4-[(4S,5S)-4- methyl-5-phe...) Show SMILES CCC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:38| Show InChI InChI=1S/C37H53ClN6O3/c1-4-27(2)40-32(18-9-12-21-42-19-10-6-11-20-42)36(46)44-23-22-43(37-41-28(3)34(47-37)30-15-7-5-8-16-30)26-33(44)35(45)39-25-29-14-13-17-31(38)24-29/h5,7-8,13-17,24,27-28,32-34,40H,4,6,9-12,18-23,25-26H2,1-3H3,(H,39,45)/t27?,28-,32+,33-,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIIa can be determined using a relevant purified serin...				US Patent US10875851 (2020) BindingDB Entry DOI: 10.7270/Q2JD50W8
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