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SMILES: Clc1ccc2NC(=O)OC3(CCN(C3)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc4NC(=O)CS(=O)(=O)c4c3)c2c1

InChI Key: InChIKey=SEVXEKMYFTWDSC-QASNXKAYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 289842   
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
Coagulation factor XI


(Homo sapiens (Human))		BDBM289842
PNG
(N-((2S)-1-(6-chloro-2-oxo-1,2-dihydrospiro[benzo[d...)
Show SMILES Clc1ccc2NC(=O)OC3(CCN(C3)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc4NC(=O)CS(=O)(=O)c4c3)c2c1 |r|
Show InChI InChI=1S/C29H25ClN4O7S/c30-19-7-9-21-20(14-19)29(41-28(38)33-21)10-11-34(16-29)27(37)23(12-17-4-2-1-3-5-17)32-26(36)18-6-8-22-24(13-18)42(39,40)15-25(35)31-22/h1-9,13-14,23H,10-12,15-16H2,(H,31,35)(H,32,36)(H,33,38)/t23-,29?/m0/s1
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US Patent
 145 -9.32n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...

US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair