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Compile Data Set for Download or QSAR

Found 4 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 |r|
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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
BindingDB Entry DOI: 10.7270/Q2WM1HRB
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 |r|
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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
BindingDB Entry DOI: 10.7270/Q2WM1HRB
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 |r|
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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
BindingDB Entry DOI: 10.7270/Q2WM1HRB
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 |r|
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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
BindingDB Entry DOI: 10.7270/Q2WM1HRB
More data for this
Ligand-Target Pair