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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trypsin' and Monomerid = 50076074   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50076074
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O
Show InChI InChI=1S/C20H26N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15,19,24,29H,5,8,11-13H2,(H3,21,22)(H,23,27)/t15-,19?/m0/s1
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Article
n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required to inhibit human trypsin enzyme was determined


Bioorg Med Chem Lett 7: 1543-1548 (1997)


Article DOI: 10.1016/S0960-894X(97)00258-8
BindingDB Entry DOI: 10.7270/Q2HD7VNX
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50076074
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O
Show InChI InChI=1S/C20H26N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15,19,24,29H,5,8,11-13H2,(H3,21,22)(H,23,27)/t15-,19?/m0/s1
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PubMed
n/an/a 26n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair