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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50082579   
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
Prothrombin


(Bos taurus (Bovine))		BDBM50082579
PNG
(6-Chloro-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline...)
Show SMILES CC1(C)CNc2c(C1)cc(Cl)cc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CC(F)F)CC1
Show InChI InChI=1S/C24H37ClF2N6O3S/c1-24(2)13-16-11-17(25)12-19(21(16)31-14-24)37(35,36)32-18(4-3-7-30-23(28)29)22(34)33-8-5-15(6-9-33)10-20(26)27/h11-12,15,18,20,31-32H,3-10,13-14H2,1-2H3,(H4,28,29,30)
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PC cid
PC sid
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Similars
PubMed
 12n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin

J Med Chem 42: 4584-603 (1999)


BindingDB Entry DOI: 10.7270/Q28G8MDS
More data for this
Ligand-Target Pair