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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 241555   
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 IX


(Homo sapiens (Human))
BDBM241555
PNG
(US9409908, 187 | US9951071, Example 187)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C(F)(F)F)c2cc(ccn2)-c2cc(ccc2NC1=O)C(O)=O |r,c:9|
Show InChI InChI=1S/C31H26ClF4N3O4/c1-16-3-2-4-25(24-14-17(9-11-37-24)20-13-19(30(42)43)5-8-23(20)38-29(16)41)39-12-10-18(15-26(39)40)27-21(31(34,35)36)6-7-22(32)28(27)33/h5-9,11,13-16,25H,2-4,10,12H2,1H3,(H,38,41)(H,42,43)/t16-,25+/m1/s1
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0.440n/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 US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM241555
PNG
(US9409908, 187 | US9951071, Example 187)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C(F)(F)F)c2cc(ccn2)-c2cc(ccc2NC1=O)C(O)=O |r,c:9|
Show InChI InChI=1S/C31H26ClF4N3O4/c1-16-3-2-4-25(24-14-17(9-11-37-24)20-13-19(30(42)43)5-8-23(20)38-29(16)41)39-12-10-18(15-26(39)40)27-21(31(34,35)36)6-7-22(32)28(27)33/h5-9,11,13-16,25H,2-4,10,12H2,1H3,(H,38,41)(H,42,43)/t16-,25+/m1/s1
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0.440n/an/an/an/an/an/an/an/a



Nerviano Medical Sciences Srl



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...


J Med Chem 51: 487-501 (2008)


BindingDB Entry DOI: 10.7270/Q2R78HKQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM241555
PNG
(US9409908, 187 | US9951071, Example 187)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C(F)(F)F)c2cc(ccn2)-c2cc(ccc2NC1=O)C(O)=O |r,c:9|
Show InChI InChI=1S/C31H26ClF4N3O4/c1-16-3-2-4-25(24-14-17(9-11-37-24)20-13-19(30(42)43)5-8-23(20)38-29(16)41)39-12-10-18(15-26(39)40)27-21(31(34,35)36)6-7-22(32)28(27)33/h5-9,11,13-16,25H,2-4,10,12H2,1H3,(H,38,41)(H,42,43)/t16-,25+/m1/s1
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antibodypedia
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UniChem
US Patent
17.4 -46.1n/an/an/an/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM241555
PNG
(US9409908, 187 | US9951071, Example 187)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C(F)(F)F)c2cc(ccn2)-c2cc(ccc2NC1=O)C(O)=O |r,c:9|
Show InChI InChI=1S/C31H26ClF4N3O4/c1-16-3-2-4-25(24-14-17(9-11-37-24)20-13-19(30(42)43)5-8-23(20)38-29(16)41)39-12-10-18(15-26(39)40)27-21(31(34,35)36)6-7-22(32)28(27)33/h5-9,11,13-16,25H,2-4,10,12H2,1H3,(H,38,41)(H,42,43)/t16-,25+/m1/s1
PDB

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
17.4n/an/an/an/an/an/an/an/a



Nerviano Medical Sciences Srl



Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


J Med Chem 51: 487-501 (2008)


BindingDB Entry DOI: 10.7270/Q2R78HKQ
More data for this
Ligand-Target Pair