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BDBM50505290 CHEBI:65172::Exanta::Exanta (proposed)::H 376/95::XIMELAGATRAN::Ximelagatran

SMILES: CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(\N)=N/O

InChI Key: InChIKey=ZXIBCJHYVWYIKI-PZJWPPBQSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50505290   
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))		BDBM50505290
PNG
(CHEBI:65172 | Exanta | Exanta (proposed) | H 376/9...)
Show SMILES CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(\N)=N/O |r|
Show InChI InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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 2n/an/an/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)

J Med Chem 62: 10005-10025 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01732
More data for this
Ligand-Target Pair