Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50017897'   

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 X (Bos taurus)	BDBM50017897 (CHEMBL3289023) Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(22.23,-9.88,;20.9,-9.11,;19.57,-9.88,;18.23,-9.11,;18.23,-7.57,;19.57,-6.8,;20.9,-7.57,;16.9,-6.8,;15.56,-7.57,;15.56,-9.11,;14.23,-6.8,;14.23,-5.26,;12.9,-4.49,;12.9,-2.95,;14.23,-2.18,;14.23,-.64,;15.56,.13,;16.9,-.64,;16.9,-2.18,;15.56,-2.95,;18.23,.13,;19.57,-.64,;18.23,1.67,;11.56,-5.26,;11.56,-6.8,;10.23,-7.57,;8.9,-6.8,;7.56,-7.57,;6.23,-6.8,;6.23,-5.26,;7.56,-4.49,;8.9,-5.26,;4.9,-4.49,;3.56,-5.26,;4.9,-2.95,;12.9,-7.57,)| Show InChI InChI=1S/C27H30N6O3/c28-19-5-7-20(8-6-19)33-27(34)18-13-23(35-21-9-1-16(2-10-21)25(29)30)15-24(14-18)36-22-11-3-17(4-12-22)26(31)32/h1-4,9-15,19-20H,5-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	516	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of bovine plasma factor 10a using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH substrate				Bioorg Med Chem 22: 3187-203 (2014) Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD
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