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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM241410'   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM241410
PNG
(US9409908, 42 | US9951071, Example 42)
Show SMILES CCOC(=O)Cc1nnc(Nc2ccc-3c(NC(=O)[C@H](C)CCC[C@H](N4CCC(=CC4=O)c4c(F)ccc(Cl)c4F)c4cc-3ccn4)c2)o1 |r,c:28|
Show InChI InChI=1S/C35H33ClF2N6O5/c1-3-48-31(46)18-29-42-43-35(49-29)40-22-7-8-23-20-11-13-39-27(15-20)28(6-4-5-19(2)34(47)41-26(23)17-22)44-14-12-21(16-30(44)45)32-25(37)10-9-24(36)33(32)38/h7-11,13,15-17,19,28H,3-6,12,14,18H2,1-2H3,(H,40,43)(H,41,47)/t19-,28+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2n/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
Plasma kallikrein


(Homo sapiens (Human))
BDBM241410
PNG
(US9409908, 42 | US9951071, Example 42)
Show SMILES CCOC(=O)Cc1nnc(Nc2ccc-3c(NC(=O)[C@H](C)CCC[C@H](N4CCC(=CC4=O)c4c(F)ccc(Cl)c4F)c4cc-3ccn4)c2)o1 |r,c:28|
Show InChI InChI=1S/C35H33ClF2N6O5/c1-3-48-31(46)18-29-42-43-35(49-29)40-22-7-8-23-20-11-13-39-27(15-20)28(6-4-5-19(2)34(47)41-26(23)17-22)44-14-12-21(16-30(44)45)32-25(37)10-9-24(36)33(32)38/h7-11,13,15-17,19,28H,3-6,12,14,18H2,1-2H3,(H,40,43)(H,41,47)/t19-,28+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2 -49.7n/an/an/an/an/an/a25



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