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Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM413796'   
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
Coagulation factor XI


(Homo sapiens (Human))		BDBM413796
PNG
(N-(Quinoxalin-6-yl)-2-{4-[5-chloro-2-(1H-tetrazol-...)
Show SMILES COc1cn(CC(=O)Nc2ccc3nccnc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN8O3/c1-35-21-11-31(12-22(33)28-15-3-4-18-19(9-15)26-7-6-25-18)23(34)10-17(21)16-8-14(24)2-5-20(16)32-13-27-29-30-32/h2-11,13H,12H2,1H3,(H,28,33)
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n/an/a 0.730n/an/an/an/an/an/a


TBA

Assay Description
FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2W09935
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM413796
PNG
(N-(Quinoxalin-6-yl)-2-{4-[5-chloro-2-(1H-tetrazol-...)
Show SMILES COc1cn(CC(=O)Nc2ccc3nccnc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN8O3/c1-35-21-11-31(12-22(33)28-15-3-4-18-19(9-15)26-7-6-25-18)23(34)10-17(21)16-8-14(24)2-5-20(16)32-13-27-29-30-32/h2-11,13H,12H2,1H3,(H,28,33)
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MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.730n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...

US Patent US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair