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BDBM50289529 CHEMBL3084745

SMILES: CN[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NC[C@H]1CC[C@H](N)CC1

InChI Key: InChIKey=MDSVGJAUFNXYRR-SDWZKWEYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50289529   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50289529
PNG
(CHEMBL3084745)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NC[C@H]1CC[C@H](N)CC1 |r,wU:21.22,wD:24.26,2.2,(1.75,-2.49,;3.1,-3.26,;4.43,-2.49,;4.43,-.95,;3.08,-.18,;1.75,-.95,;.42,-.18,;.42,1.37,;1.75,2.15,;3.08,1.37,;5.76,-3.26,;5.76,-4.78,;7.09,-2.47,;7.26,-.95,;8.77,-.62,;9.54,-1.95,;8.5,-3.1,;8.83,-4.61,;10.3,-5.07,;7.68,-5.63,;8.01,-7.14,;9.49,-7.62,;10.6,-6.59,;12.08,-7.05,;12.41,-8.56,;13.88,-9.03,;11.26,-9.6,;9.8,-9.12,)|
Show InChI InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17-,18-,19-,20?/m1/s1
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Similars
Article
 5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against human thrombin

Bioorg Med Chem Lett 7: 1497-1500 (1997)


Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15
More data for this
Ligand-Target Pair