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Compile Data Set for Download or QSAR

Found 6 hits of ki data for polymerid = 50000341   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypsin


(Homo sapiens)
BDBM50070597
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)
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2.50E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM50064653
PNG
(2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...)
Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1
Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3
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1.10E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM50070598
PNG
(2-Chloro-benzenesulfonic acid 3-(3-guanidino-propo...)
Show SMILES Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-9-13(24-8-4-7-21-17(19)20)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)
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2.30E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM50070595
PNG
(2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...)
Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)
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3.00E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM50070599
PNG
(2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...)
Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)
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4.60E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM50070600
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCCN(C2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-9-16(27-13-15-5-4-8-24(12-15)20(22)23)11-17(10-14)28-29(25,26)19-7-3-2-6-18(19)21/h2-3,6-7,9-11,15H,4-5,8,12-13H2,1H3,(H3,22,23)
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7.40E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate


Citation and Details
More data for this
Ligand-Target Pair