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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 357017   
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))
BDBM357017
PNG
((S) 5-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-2-(25-...)
Show SMILES [O-][n+]1cc(ccc1[C@H]1CCCCC(=O)Nc2ccc(F)cc2-c2cccc1c2)-c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C30H24ClFN6O2/c31-22-9-13-28(37-18-33-35-36-37)26(15-22)21-8-12-29(38(40)17-21)24-6-1-2-7-30(39)34-27-11-10-23(32)16-25(27)20-5-3-4-19(24)14-20/h3-5,8-18,24H,1-2,6-7H2,(H,34,39)/t24-/m0/s1
PDB
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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
0.0900n/an/an/an/an/an/an/an/a



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 US10214512 (2019)


BindingDB Entry DOI: 10.7270/Q2668GGN
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM357017
PNG
((S) 5-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-2-(25-...)
Show SMILES [O-][n+]1cc(ccc1[C@H]1CCCCC(=O)Nc2ccc(F)cc2-c2cccc1c2)-c1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C30H24ClFN6O2/c31-22-9-13-28(37-18-33-35-36-37)26(15-22)21-8-12-29(38(40)17-21)24-6-1-2-7-30(39)34-27-11-10-23(32)16-25(27)20-5-3-4-19(24)14-20/h3-5,8-18,24H,1-2,6-7H2,(H,34,39)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...


US Patent US10214512 (2019)


BindingDB Entry DOI: 10.7270/Q2668GGN
More data for this
Ligand-Target Pair