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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50076821   
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))		BDBM50076821
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@H](C(=O)N1CCC(CCF)CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H35FN4O6S/c31-12-8-21-10-14-35(15-11-21)30(37)29(23-6-7-26-27(17-23)41-20-40-26)34-42(38,39)28-18-32-13-9-25(28)33-24(19-36)16-22-4-2-1-3-5-22/h1-7,9,13,17-18,21,24,29,34,36H,8,10-12,14-16,19-20H2,(H,32,33)/t24-,29-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 43n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair