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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50288635'   
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))		BDBM50288635
PNG
((S)-1-(4-Benzyl-benzoyl)-pyrrolidine-2-carboxylic ...)
Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cc2ccccc2)cc1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3|
Show InChI InChI=1S/C34H46BN3O4.ClH/c1-33(2)26-21-28(33)34(3)29(22-26)41-35(42-34)30(13-7-8-18-36)37-31(39)27-12-9-19-38(27)32(40)25-16-14-24(15-17-25)20-23-10-5-4-6-11-23;/h4-6,10-11,14-17,26-30H,7-9,12-13,18-22,36H2,1-3H3,(H,37,39);1H/t26-,27-,28-,29+,30-,34-;/m0./s1
PDB

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Similars
Article
 1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin.

Bioorg Med Chem Lett 6: 301-306 (1996)


Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX
More data for this
Ligand-Target Pair