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Compile Data Set for Download or QSAR

Found 9 hits of kd for UniProtKB: P00760   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine protease 1


(Bos taurus (bovine))
BDBM50003740
PNG
((Lactone IIa)N-[4-(2-Methylene-6-oxo-tetrahydro-py...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1
Show InChI InChI=1S/C13H15N3O2/c1-8-6-10(7-12(17)18-8)9-2-4-11(5-3-9)16-13(14)15/h2-5,10H,1,6-7H2,(H4,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.00200n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Decylation rate constant against trypsin


J Med Chem 35: 4150-9 (1992)


Article DOI: 10.1021/jm00100a021
BindingDB Entry DOI: 10.7270/Q20Z75G8
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50003740
PNG
((Lactone IIa)N-[4-(2-Methylene-6-oxo-tetrahydro-py...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1
Show InChI InChI=1S/C13H15N3O2/c1-8-6-10(7-12(17)18-8)9-2-4-11(5-3-9)16-13(14)15/h2-5,10H,1,6-7H2,(H4,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.00200n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50003739
PNG
((Lactone3)N-[4-(4-Guanidino-phenyl)-6-methylene-2-...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1NC(=O)c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-12-11-16(13-7-9-15(10-8-13)23-20(21)22)17(19(26)27-12)24-18(25)14-5-3-2-4-6-14/h2-10,16-17H,1,11H2,(H,24,25)(H4,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.0150n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme trypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50003741
PNG
(CHEMBL137269 | N-[4-(2-Iodomethylene-6-oxo-tetrahy...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=O)O\C(C1)=C/I
Show InChI InChI=1S/C13H14IN3O2/c14-7-11-5-9(6-12(18)19-11)8-1-3-10(4-2-8)17-13(15)16/h1-4,7,9H,5-6H2,(H4,15,16,17)/b11-7-
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.0200n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme trypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50230149
PNG
(CHEMBL1161040)
Show SMILES NC(=N)Nc1ccc(cc1)C1CC(=O)O\C(C1)=C\I
Show InChI InChI=1S/C13H14IN3O2/c14-7-11-5-9(6-12(18)19-11)8-1-3-10(4-2-8)17-13(15)16/h1-4,7,9H,5-6H2,(H4,15,16,17)/b11-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.0200n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Decylation rate constant against trypsin


J Med Chem 35: 4150-9 (1992)


Article DOI: 10.1021/jm00100a021
BindingDB Entry DOI: 10.7270/Q20Z75G8
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50511167
PNG
(CHEMBL4563187)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccnc(N)c1
Show InChI InChI=1S/C20H25N5O2.2C2HF3O2/c21-16(11-14-5-2-1-3-6-14)20(27)25-10-4-7-17(25)19(26)24-13-15-8-9-23-18(22)12-15;2*3-2(4,5)1(6)7/h1-3,5-6,8-9,12,16-17H,4,7,10-11,13,21H2,(H2,22,23)(H,24,26);2*(H,6,7)/t16-,17+;;/m1../s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 38n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to bovine beta-trypsin in phosphate/HEPES/Tricine/Tris buffer by ITC method


J Med Chem 63: 3274-3289 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02061
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50511166
PNG
(CHEMBL4513436)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1
Show InChI InChI=1S/C20H25N5O2.2C2HF3O2/c21-16(11-14-5-2-1-3-6-14)20(27)25-10-4-7-17(25)19(26)24-13-15-8-9-18(22)23-12-15;2*3-2(4,5)1(6)7/h1-3,5-6,8-9,12,16-17H,4,7,10-11,13,21H2,(H2,22,23)(H,24,26);2*(H,6,7)/t16-,17+;;/m1../s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 43n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to bovine beta-trypsin in phosphate/HEPES/Tricine/Tris buffer by ITC method


J Med Chem 63: 3274-3289 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02061
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50511169
PNG
(CHEMBL4551377)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(N)nc(N)c1
Show InChI InChI=1S/C20H26N6O2.2C2HF3O2/c21-15(9-13-5-2-1-3-6-13)20(28)26-8-4-7-16(26)19(27)24-12-14-10-17(22)25-18(23)11-14;2*3-2(4,5)1(6)7/h1-3,5-6,10-11,15-16H,4,7-9,12,21H2,(H,24,27)(H4,22,23,25);2*(H,6,7)/t15-,16+;;/m1../s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 68n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to bovine beta-trypsin in phosphate/HEPES/Tricine/Tris buffer by ITC method


J Med Chem 63: 3274-3289 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02061
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50511168
PNG
(CHEMBL4465587)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccncc1
Show InChI InChI=1S/C26H28N4O2.2C2HF3O2/c27-24(23(20-8-3-1-4-9-20)21-10-5-2-6-11-21)26(32)30-17-7-12-22(30)25(31)29-18-19-13-15-28-16-14-19;2*3-2(4,5)1(6)7/h1-6,8-11,13-16,22-24H,7,12,17-18,27H2,(H,29,31);2*(H,6,7)/t22-,24+;;/m0../s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 757n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of (S)-1-((R)-2-amino-3-phenylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide from bovine beta-trypsin in phosphate/HEPES/...


J Med Chem 63: 3274-3289 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02061
More data for this
Ligand-Target Pair