BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM238222'   
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))		BDBM238222
PNG
(US9403774, 26)
Show SMILES CC1(C)Cc2c(cccc2-c2ccc3ncccc3c2)C(N1C(=O)[C@H]1CC[C@H](CN)CC1)C(=O)Nc1ccc(cc1)C(O)=O |r,wU:24.27,wD:27.31,(-2.84,-6.95,;-2.02,-8.26,;-3.56,-8.21,;-.69,-7.49,;.65,-8.26,;.65,-9.8,;1.98,-10.57,;3.31,-9.8,;3.31,-8.26,;1.98,-7.49,;1.98,-5.95,;.65,-5.18,;.65,-3.64,;1.98,-2.87,;1.98,-1.33,;3.31,-.56,;4.65,-1.33,;4.65,-2.87,;3.31,-3.64,;3.31,-5.18,;-.69,-10.57,;-2.02,-9.8,;-3.35,-10.57,;-3.35,-12.11,;-4.69,-9.8,;-6.02,-10.57,;-7.36,-9.8,;-7.36,-8.26,;-8.69,-7.49,;-10.02,-8.26,;-6.02,-7.49,;-4.69,-8.26,;-.69,-12.11,;-2.02,-12.88,;.65,-12.88,;.65,-14.42,;1.98,-15.19,;1.98,-16.73,;.65,-17.5,;-.69,-16.73,;-.69,-15.19,;.65,-19.04,;1.98,-19.81,;-.69,-19.81,)|
Show InChI InChI=1S/C36H38N4O4/c1-36(2)20-30-28(25-14-17-31-26(19-25)5-4-18-38-31)6-3-7-29(30)32(33(41)39-27-15-12-24(13-16-27)35(43)44)40(36)34(42)23-10-8-22(21-37)9-11-23/h3-7,12-19,22-23,32H,8-11,20-21,37H2,1-2H3,(H,39,41)(H,43,44)/t22-,23-,32?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 48.3n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...

US Patent US9403774 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZK1
More data for this
Ligand-Target Pair