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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50032860'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))		BDBM50032860
PNG
(CHEMBL3355669)
Show SMILES OC(=O)C(F)(F)F.CCOC(=O)Cc1cccc(c1)-c1c[nH]c(n1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:24.25,35.36,wD:38.40,(24.99,-5.26,;26.32,-6.03,;26.32,-7.58,;27.66,-5.26,;28.99,-6.03,;28.98,-4.47,;27.66,-3.72,;27.86,-19.29,;26.95,-18.05,;27.57,-16.64,;26.66,-15.4,;25.13,-15.56,;27.28,-13.99,;26.37,-12.75,;27,-11.34,;26.08,-10.1,;24.56,-10.26,;23.94,-11.66,;24.84,-12.91,;22.41,-11.82,;21.64,-13.16,;20.13,-12.83,;19.98,-11.31,;21.38,-10.68,;18.64,-10.54,;18.64,-9,;19.98,-8.23,;21.31,-9,;22.64,-8.23,;22.65,-6.69,;21.3,-5.92,;19.97,-6.69,;17.31,-11.3,;15.97,-10.53,;15.97,-8.99,;14.64,-11.3,;14.65,-12.85,;13.31,-13.61,;11.97,-12.84,;10.63,-13.6,;9.3,-12.83,;11.97,-11.3,;13.31,-10.54,)|
Show InChI InChI=1S/C29H36N4O3.C2HF3O2/c1-2-36-27(34)17-22-9-6-10-24(15-22)26-19-31-28(32-26)25(16-20-7-4-3-5-8-20)33-29(35)23-13-11-21(18-30)12-14-23;3-2(4,5)1(6)7/h3-10,15,19,21,23,25H,2,11-14,16-18,30H2,1H3,(H,31,32)(H,33,35);(H,6,7)/t21-,23-,25-;/m0./s1
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Article
PubMed
>8.18E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate by spectrophotometric analysis

J Med Chem 57: 9915-32 (2014)


Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S
More data for this
Ligand-Target Pair