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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 1529   
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


(Homo sapiens (human))
BDBM50212463
PNG
(CHEMBL1159918)
Show SMILES NC(=N)Nc1ccc(cc1)[C@H]1CC(=C)OC(=C)[C@@H]1NC(=O)c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c1-13-12-18(15-8-10-17(11-9-15)24-21(22)23)19(14(2)27-13)25-20(26)16-6-4-3-5-7-16/h3-11,18-19H,1-2,12H2,(H,25,26)(H4,22,23,24)/t18-,19+/m1/s1
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Similars

n/an/an/a 0.00150n/an/an/an/an/a


TBA

Assay Description
Rate constant of deacylation for trypsin; Fast and could not be measured


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


(Homo sapiens (human))
BDBM50212459
PNG
(CHEMBL1159958)
Show SMILES NC(=N)Nc1ccc(cc1)C1CC(=C)OC(=C)C1
Show InChI InChI=1S/C14H17N3O/c1-9-7-12(8-10(2)18-9)11-3-5-13(6-4-11)17-14(15)16/h3-6,12H,1-2,7-8H2,(H4,15,16,17)
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n/an/an/a 0.00200n/an/an/an/an/a


TBA

Assay Description
Rate constant of deacylation for trypsin


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


(Homo sapiens (human))
BDBM50212460
PNG
(CHEMBL1159951)
Show SMILES NC(=N)Nc1ccc(cc1)[C@H]1C\C(OC(=C)[C@@H]1NC(=O)c1ccccc1)=C/I
Show InChI InChI=1S/C21H21IN4O2/c1-13-19(26-20(27)15-5-3-2-4-6-15)18(11-17(12-22)28-13)14-7-9-16(10-8-14)25-21(23)24/h2-10,12,18-19H,1,11H2,(H,26,27)(H4,23,24,25)/b17-12+/t18-,19+/m1/s1
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n/an/an/a 0.00500n/an/an/an/an/a


TBA

Assay Description
Rate constant of deacylation for trypsin


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


(Homo sapiens (human))
BDBM50212461
PNG
(CHEMBL1159957)
Show SMILES NC(=N)Nc1ccc(cc1)C1CC(=C)O\C(C1)=C\I
Show InChI InChI=1S/C14H16IN3O/c1-9-6-11(7-13(8-15)19-9)10-2-4-12(5-3-10)18-14(16)17/h2-5,8,11H,1,6-7H2,(H4,16,17,18)/b13-8+
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Similars

n/an/an/a 0.0200n/an/an/an/an/a


TBA

Assay Description
Rate constant of deacylation for trypsin


Citation and Details
More data for this
Ligand-Target Pair