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PubMed code 17950494

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))		BDBM50245500
PNG
(CHEMBL447547 | N-[(2S)-1-(2-{[(1R)-1-{[(1R)-5-carb...)
Show SMILES NC(N)=NCCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CCN1C(=O)[C@H](CC1CCCCC1)NC(=O)C1CC[C@H](CN=C(N)N)CC1)C(N)=O |r,wU:12.21,30.40,wD:8.8,44.47,(.24,3.73,;1.02,2.4,;.26,1.06,;2.56,2.41,;3.34,1.08,;4.88,1.09,;5.66,-.24,;7.2,-.23,;7.97,-1.56,;7.21,-2.9,;5.67,-2.91,;4.89,-1.58,;4.91,-4.25,;5.69,-5.58,;7.23,-5.57,;8,-6.9,;9.53,-6.89,;10.3,-5.55,;11.84,-5.54,;9.51,-4.21,;7.99,-4.23,;3.37,-4.26,;2.61,-5.59,;3.38,-6.92,;1.07,-5.6,;-.03,-4.52,;-1.11,-5.61,;-.02,-6.71,;-.02,-8.25,;1.32,-9.01,;-1.35,-9.02,;-2.68,-8.25,;-4.01,-9.03,;-5.35,-8.26,;-6.68,-9.03,;-6.68,-10.57,;-5.34,-11.34,;-4,-10.57,;-1.34,-10.56,;-0,-11.33,;1.33,-10.55,;0,-12.87,;1.34,-13.63,;1.34,-15.18,;.01,-15.95,;.01,-17.49,;-1.33,-18.26,;-1.33,-19.8,;-2.66,-20.57,;.01,-20.57,;-1.33,-15.18,;-1.33,-13.64,;9.51,-1.55,;10.28,-.22,;10.29,-2.88,)|
Show InChI InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26?,28-,29-,30+,31?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibition of human thrombin

Eur J Med Chem 43: 1330-5 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.019
BindingDB Entry DOI: 10.7270/Q2SB45JZ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50241050
PNG
(2-(6-fluoro-1H-indol-3-yl)ethanamine | 6-fluorotry...)
Show SMILES NCCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/a 6.90E+6n/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin)

Eur J Med Chem 43: 1330-5 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.019
BindingDB Entry DOI: 10.7270/Q2SB45JZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%