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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50068898   
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
Chymase


(Homo sapiens (Human))
BDBM50068898
PNG
(BDBM50281588 | CHEMBL147013 | {1-[2-(1-Benzyl-3,3,...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O5/c1-15(2)19(30-23(35)36-24(3,4)5)22(34)31-13-9-12-18(31)21(33)29-17(20(32)25(26,27)28)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,9,12-14H2,1-5H3,(H,29,33)(H,30,35)
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56n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)


Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50068898
PNG
(BDBM50281588 | CHEMBL147013 | {1-[2-(1-Benzyl-3,3,...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O5/c1-15(2)19(30-23(35)36-24(3,4)5)22(34)31-13-9-12-18(31)21(33)29-17(20(32)25(26,27)28)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,9,12-14H2,1-5H3,(H,29,33)(H,30,35)
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113n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen


Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50068898
PNG
(BDBM50281588 | CHEMBL147013 | {1-[2-(1-Benzyl-3,3,...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O5/c1-15(2)19(30-23(35)36-24(3,4)5)22(34)31-13-9-12-18(31)21(33)29-17(20(32)25(26,27)28)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,9,12-14H2,1-5H3,(H,29,33)(H,30,35)
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Article
1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its potency to inhibit human Cathepsin G


Bioorg Med Chem Lett 3: 525-530 (1993)


Article DOI: 10.1016/S0960-894X(01)81220-8
BindingDB Entry DOI: 10.7270/Q23778NF
More data for this
Ligand-Target Pair