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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor VII' and Ligand = 'BDBM50032881'   
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 VII


(Homo sapiens (Human))		BDBM50032881
PNG
(CHEMBL3355676)
Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1cccc(c1)C(N)=O |r,wU:18.18,12.14,wD:9.7,(29.77,-17.68,;31.11,-18.45,;31.11,-19.99,;32.44,-17.68,;33.78,-18.45,;33.77,-16.89,;32.44,-16.14,;13.69,-24.66,;15.02,-25.44,;16.36,-24.67,;17.7,-25.45,;19.04,-24.68,;19.03,-23.14,;17.7,-22.37,;16.36,-23.13,;20.36,-22.37,;20.36,-20.83,;21.69,-23.14,;23.03,-22.37,;23.03,-20.83,;24.37,-20.06,;25.7,-20.83,;27.03,-20.07,;27.03,-18.52,;25.69,-17.75,;24.36,-18.53,;24.36,-23.14,;25.77,-22.51,;26.8,-23.65,;26.03,-24.99,;24.52,-24.67,;28.32,-23.5,;28.94,-22.09,;30.47,-21.93,;31.39,-23.18,;30.76,-24.58,;29.23,-24.74,;31.67,-25.83,;31.04,-27.24,;33.2,-25.67,)|
Show InChI InChI=1S/C26H31N5O2.C2HF3O2/c27-15-18-9-11-19(12-10-18)26(33)31-22(13-17-5-2-1-3-6-17)25-29-16-23(30-25)20-7-4-8-21(14-20)24(28)32;3-2(4,5)1(6)7/h1-8,14,16,18-19,22H,9-13,15,27H2,(H2,28,32)(H,29,30)(H,31,33);(H,6,7)/t18-,19-,22-;/m0./s1
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Article
PubMed
>1.09E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-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