BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3687 hits Enz. Inhib. hit(s) with Target = 'Serine protease 1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine protease 1


(Bos taurus (bovine))
BDBM50034582
PNG
(CHEMBL2448441 | Peptide boronate)
Show SMILES Br.CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(CCC\C(S)=N\N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H50BN5O6S.BrH/c1-36(2)26-21-29(36)37(3)30(22-26)48-38(49-37)31(17-10-18-32(50)42-39)41-33(44)28-16-11-19-43(28)34(45)27(20-24-12-6-4-7-13-24)40-35(46)47-23-25-14-8-5-9-15-25;/h4-9,12-15,26-31H,10-11,16-23,39H2,1-3H3,(H,40,46)(H,41,44)(H,42,50);1H/t26?,27-,28-,29?,30+,31?,37-;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00150n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Trypsin


J Med Chem 38: 1511-22 (1995)


Article DOI: 10.1021/jm00009a012
BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50124947
PNG
(CHEMBL453539)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00800n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using Boc-QAR-MCA as substrate measured every 30 secs for 10 mins


Eur J Med Chem 155: 695-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.029
BindingDB Entry DOI: 10.7270/Q29026CK
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50076227
PNG
((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H42N8O3/c31-29(32)35-16-7-12-24(26(39)28(41)34-17-13-22-8-3-1-4-9-22)36-27(40)25-14-18-37-19-15-30(33,21-38(25)37)20-23-10-5-2-6-11-23/h1-6,8-11,24-25H,7,12-21,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t24-,25-,30+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0270n/an/an/an/an/an/an/an/a



Molecumetics Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin.


J Med Chem 42: 1367-75 (1999)


Article DOI: 10.1021/jm980354p
BindingDB Entry DOI: 10.7270/Q20Z72G1
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50124947
PNG
(CHEMBL453539)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human cationic trypsin using Boc-VPR-MCA as substrate measured every 30 secs for 10 mins


Eur J Med Chem 155: 695-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.029
BindingDB Entry DOI: 10.7270/Q29026CK
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50288406
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O
Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
0.0450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of trypsin


Bioorg Med Chem Lett 6: 2913-2918 (1996)


Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50288406
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O
Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
0.0450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 1595-1600 (1997)


Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50069922
PNG
(Boropeptide analogue | CHEMBL102069)
Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)B(O)O
Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16?,17-,18?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.0450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for selectivity against trypsin


Bioorg Med Chem Lett 7: 79-84 (1997)

Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50449678
PNG
(CHEMBL4164510)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O
Show InChI InChI=1S/C74H104N18O18S2/c1-4-40(2)59-69(106)87-52-38-111-112-39-53(86-62(99)46(21-12-28-78-74(76)77)80-57(95)36-79-61(98)48(35-58(96)97)82-67(104)54-22-13-29-90(54)71(108)49(84-65(52)102)33-42-16-6-5-7-17-42)66(103)89-60(41(3)94)70(107)81-47(20-10-11-27-75)63(100)85-51(37-93)64(101)83-50(34-43-25-26-44-18-8-9-19-45(44)32-43)72(109)92-31-15-24-56(92)73(110)91-30-14-23-55(91)68(105)88-59/h5-9,16-19,25-26,32,40-41,46-56,59-60,93-94H,4,10-15,20-24,27-31,33-39,75H2,1-3H3,(H,79,98)(H,80,95)(H,81,107)(H,82,104)(H,83,101)(H,84,102)(H,85,100)(H,86,99)(H,87,106)(H,88,105)(H,89,103)(H,96,97)(H4,76,77,78)/t40-,41+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-,60-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.0460n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using Boc-QAR-MCA as substrate measured every 30 secs for 10 mins


Eur J Med Chem 155: 695-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.029
BindingDB Entry DOI: 10.7270/Q29026CK
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109663
PNG
(US8609715, A-71)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(o2)-c2cccc(c2)C(=O)N[C@@H](CC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C23H19N3O8/c24-20(25)12-4-6-15(7-5-12)33-23(32)18-9-8-17(34-18)13-2-1-3-14(10-13)21(29)26-16(22(30)31)11-19(27)28/h1-10,16H,11H2,(H3,24,25)(H,26,29)(H,27,28)(H,30,31)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.0540n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50034581
PNG
(CHEMBL36744 | Peptide boronate)
Show SMILES COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C43H54BN3O7/c1-42(2)32-26-34(42)43(3)35(27-32)53-44(54-43)36(23-15-25-51-4)45-39(48)33-22-14-24-47(33)40(49)38(46-41(50)52-28-29-16-8-5-9-17-29)37(30-18-10-6-11-19-30)31-20-12-7-13-21-31/h5-13,16-21,32-38H,14-15,22-28H2,1-4H3,(H,45,48)(H,46,50)/t32?,33-,34?,35+,36?,38-,43-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0540n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Trypsin


J Med Chem 38: 1511-22 (1995)


Article DOI: 10.1021/jm00009a012
BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50449677
PNG
(CHEMBL4172393)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O
Show InChI InChI=1S/C76H106N18O18S2/c1-4-42(2)61-71(108)89-54-40-113-114-41-55(88-64(101)48(22-13-31-80-76(78)79)82-59(97)38-81-63(100)50(37-60(98)99)84-69(106)56-23-14-32-92(56)73(110)51(86-67(54)104)35-44-17-7-5-8-18-44)68(105)91-62(43(3)96)72(109)83-49(21-11-12-30-77)65(102)87-53(39-95)66(103)85-52(36-45-26-28-47(29-27-45)46-19-9-6-10-20-46)74(111)94-34-16-25-58(94)75(112)93-33-15-24-57(93)70(107)90-61/h5-10,17-20,26-29,42-43,48-58,61-62,95-96H,4,11-16,21-25,30-41,77H2,1-3H3,(H,81,100)(H,82,97)(H,83,109)(H,84,106)(H,85,103)(H,86,104)(H,87,102)(H,88,101)(H,89,108)(H,90,107)(H,91,105)(H,98,99)(H4,78,79,80)/t42-,43+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.0620n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using Boc-QAR-MCA as substrate measured every 30 secs for 10 mins


Eur J Med Chem 155: 695-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.029
BindingDB Entry DOI: 10.7270/Q29026CK
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50076224
PNG
((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H40N8O3/c30-28(31)33-15-7-12-23(25(38)27(40)34-19-22-10-5-2-6-11-22)35-26(39)24-13-16-36-17-14-29(32,20-37(24)36)18-21-8-3-1-4-9-21/h1-6,8-11,23-24H,7,12-20,32H2,(H,34,40)(H,35,39)(H4,30,31,33)/t23-,24-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0730n/an/an/an/an/an/an/an/a



Molecumetics Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin.


J Med Chem 42: 1367-75 (1999)


Article DOI: 10.1021/jm980354p
BindingDB Entry DOI: 10.7270/Q20Z72G1
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM234238
PNG
(US9346821, A-6)
Show SMILES NC(=N)c1ccc2cc(OC(=O)c3ccc(CN4CCC[C@@H]4C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O)o3)ccc2c1
Show InChI InChI=1S/C25H26N4O9S/c26-22(27)16-4-3-15-11-17(6-5-14(15)10-16)38-25(33)21-8-7-18(37-21)12-29-9-1-2-20(29)23(30)28-19(24(31)32)13-39(34,35)36/h3-8,10-11,19-20H,1-2,9,12-13H2,(H3,26,27)(H,28,30)(H,31,32)(H,34,35,36)/t19-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/a8.0n/a



Ajinomoto Co. Inc

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


US Patent US9346821 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73G2
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50124947
PNG
(CHEMBL453539)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin type-3 using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition measured over 60 mins


J Med Chem 60: 504-510 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50502661
PNG
(CHEMBL4531752)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)C[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)C[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C69H106N16O18S2/c1-6-37(3)55-64(99)78-46-35-104-105-36-47(79-59(94)43(20-13-25-73-69(71)72)75-53(90)33-74-58(93)41(32-54(91)92)30-52(89)48-21-14-26-83(48)66(101)42(31-51(46)88)29-40-17-9-8-10-18-40)62(97)82-57(39(5)87)65(100)76-44(19-11-12-24-70)60(95)77-45(34-86)61(96)81-56(38(4)7-2)68(103)85-28-16-23-50(85)67(102)84-27-15-22-49(84)63(98)80-55/h8-10,17-18,37-39,41-50,55-57,86-87H,6-7,11-16,19-36,70H2,1-5H3,(H,74,93)(H,75,90)(H,76,100)(H,77,95)(H,78,99)(H,79,94)(H,80,98)(H,81,96)(H,82,97)(H,91,92)(H4,71,72,73)/t37-,38-,39+,41-,42-,43-,44-,45+,46-,47-,48-,49-,50-,55-,56-,57-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
<0.100n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition and measured for 60 mins by color...


ACS Med Chem Lett 10: 1234-1239 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00253
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50520068
PNG
(CHEMBL4447828)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)C2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45?,46-,47-,48-,51-,52-,53-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
<0.100n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition measured after 60 mins


J Med Chem 63: 816-826 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01811
More data for this
Ligand-Target Pair
Kallikrein-4


(Homo sapiens (Human))
BDBM50507481
PNG
(CHEMBL4564063)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C142H224N50O46S6/c1-8-68(5)110-136(236)182-81(44-67(3)4)124(224)176-75(24-13-15-37-143)118(218)173-76(25-14-16-38-144)121(221)186-92-62-240-242-64-94-133(233)172-74(26-17-39-155-139(147)148)113(213)161-54-104(203)169-84(47-99(146)198)114(214)162-55-103(202)168-83(46-72-31-33-73(196)34-32-72)125(225)185-91-61-239-244-66-96(189-128(228)87(50-109(210)211)181-130(230)90(60-195)183-127(227)86(49-108(208)209)180-120(220)78(28-19-41-157-141(151)152)174-119(219)77(177-131(92)231)27-18-40-156-140(149)150)138(238)192-43-21-30-97(192)135(235)165-53-101(200)166-70(7)112(212)184-95(134(234)191-111(69(6)9-2)137(237)188-94)65-243-241-63-93(132(232)178-80(35-36-98(145)197)122(222)175-79(123(223)190-110)29-20-42-158-142(153)154)187-126(226)82(45-71-22-11-10-12-23-71)167-102(201)52-159-100(199)51-160-115(215)85(48-107(206)207)179-129(229)89(59-194)171-106(205)56-163-116(216)88(58-193)170-105(204)57-164-117(91)217/h10-12,22-23,31-34,67-70,74-97,110-111,193-196H,8-9,13-21,24-30,35-66,143-144H2,1-7H3,(H2,145,197)(H2,146,198)(H,159,199)(H,160,215)(H,161,213)(H,162,214)(H,163,216)(H,164,217)(H,165,235)(H,166,200)(H,167,201)(H,168,202)(H,169,203)(H,170,204)(H,171,205)(H,172,233)(H,173,218)(H,174,219)(H,175,222)(H,176,224)(H,177,231)(H,178,232)(H,179,229)(H,180,220)(H,181,230)(H,182,236)(H,183,227)(H,184,212)(H,185,225)(H,186,221)(H,187,226)(H,188,237)(H,189,228)(H,190,223)(H,191,234)(H,206,207)(H,208,209)(H,210,211)(H4,147,148,155)(H4,149,150,156)(H4,151,152,157)(H4,153,154,158)/t68-,69-,70-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,110-,111-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of KLK4 (unknown origin) expressed in sf9 cells using Ac-FVQR-pNA as substrate preincubated for 30 mins followed by substrate addition and...


ACS Med Chem Lett 9: 1258-1262 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00422
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50289586
PNG
(3-Methyl-2'-sulfamoyl-biphenyl-4-carboxylic acid [...)
Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C29H40BN5O5S/c1-17-14-18(21-8-5-6-9-22(21)41(33,37)38)11-12-20(17)26(36)35-25(10-7-13-34-27(31)32)30-39-24-16-19-15-23(28(19,2)3)29(24,4)40-30/h5-6,8-9,11-12,14,19,23-25H,7,10,13,15-16H2,1-4H3,(H,35,36)(H4,31,32,34)(H2,33,37,38)/t19?,23?,24-,25+,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 1595-1600 (1997)


Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109651
PNG
(US8609715, A-59)
Show SMILES CC(CCC(=O)N[C@@H](CC(O)=O)C(O)=O)Cc1ccc(o1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H25N3O8/c1-12(2-9-18(26)25-16(21(29)30)11-19(27)28)10-15-7-8-17(32-15)22(31)33-14-5-3-13(4-6-14)20(23)24/h3-8,12,16H,2,9-11H2,1H3,(H3,23,24)(H,25,26)(H,27,28)(H,29,30)/t12?,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.120n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Kallikrein-4


(Homo sapiens (Human))
BDBM50507480
PNG
(CHEMBL4543437)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2
Show InChI InChI=1S/C138H224N48O46S6/c1-10-66(7)107-133(230)175-78(42-64(3)4)121(218)169-72(22-12-15-35-139)115(212)166-73(23-13-16-36-140)118(215)179-88-59-234-236-61-90-128(225)165-71(25-18-38-150-136(144)145)110(207)155-51-99(196)162-80(44-95(143)192)111(208)156-52-98(195)161-79(43-69-29-31-70(190)32-30-69)122(219)178-87-58-233-238-63-92(182-124(221)83(47-105(204)205)174-126(223)86(57-189)176-123(220)82(46-104(202)203)173-117(214)76(27-20-40-152-138(148)149)168-116(213)75(170-127(88)224)26-19-39-151-137(146)147)135(232)186-41-21-28-93(186)131(228)159-50-97(194)160-68(9)109(206)177-91(130(227)185-108(67(8)11-2)134(231)181-90)62-237-235-60-89(129(226)171-77(33-34-94(142)191)119(216)167-74(120(217)184-107)24-14-17-37-141)180-132(229)106(65(5)6)183-102(199)49-153-96(193)48-154-112(209)81(45-103(200)201)172-125(222)85(56-188)164-101(198)53-157-113(210)84(55-187)163-100(197)54-158-114(87)211/h29-32,64-68,71-93,106-108,187-190H,10-28,33-63,139-141H2,1-9H3,(H2,142,191)(H2,143,192)(H,153,193)(H,154,209)(H,155,207)(H,156,208)(H,157,210)(H,158,211)(H,159,228)(H,160,194)(H,161,195)(H,162,196)(H,163,197)(H,164,198)(H,165,225)(H,166,212)(H,167,216)(H,168,213)(H,169,218)(H,170,224)(H,171,226)(H,172,222)(H,173,214)(H,174,223)(H,175,230)(H,176,220)(H,177,206)(H,178,219)(H,179,215)(H,180,229)(H,181,231)(H,182,221)(H,183,199)(H,184,217)(H,185,227)(H,200,201)(H,202,203)(H,204,205)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t66-,67-,68-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,106-,107-,108-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.130n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of KLK4 (unknown origin) expressed in sf9 cells using Ac-FVQR-pNA as substrate preincubated for 30 mins followed by substrate addition and...


ACS Med Chem Lett 9: 1258-1262 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00422
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109630
PNG
(US8609715, B-21)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H22FN3O7S/c1-10(19(28)25-14(20(29)30)4-7-17(26)27)8-12-3-6-16(33-12)21(31)32-15-5-2-11(18(23)24)9-13(15)22/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H3,23,24)(H,25,28)(H,26,27)(H,29,30)/t10?,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.150n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50034585
PNG
(CHEMBL285285 | Peptide boronate)
Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H48BN3O6/c1-39(2)30-24-33(39)40(3)34(25-30)49-41(50-40)35(23-28-16-9-5-10-17-28)43-36(45)32-20-13-21-44(32)37(46)31(22-27-14-7-4-8-15-27)42-38(47)48-26-29-18-11-6-12-19-29/h4-12,14-19,30-35H,13,20-26H2,1-3H3,(H,42,47)(H,43,45)/t30?,31-,32-,33?,34+,35?,40-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Trypsin


J Med Chem 38: 1511-22 (1995)


Article DOI: 10.1021/jm00009a012
BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50449679
PNG
(CHEMBL4167071)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O
Show InChI InChI=1S/C76H106N20O18S2/c1-4-41(2)60-70(110)91-53-39-115-116-40-54(90-63(103)47(20-11-29-81-75(77)78)84-58(99)37-83-62(102)49(36-59(100)101)86-68(108)55-22-13-31-94(55)72(112)50(88-66(53)106)34-43-16-7-5-8-17-43)67(107)93-61(42(3)98)71(111)85-48(21-12-30-82-76(79)80)64(104)89-52(38-97)65(105)87-51(35-44-25-27-46(28-26-44)45-18-9-6-10-19-45)73(113)96-33-15-24-57(96)74(114)95-32-14-23-56(95)69(109)92-60/h5-10,16-19,25-28,41-42,47-57,60-61,97-98H,4,11-15,20-24,29-40H2,1-3H3,(H,83,102)(H,84,99)(H,85,111)(H,86,108)(H,87,105)(H,88,106)(H,89,104)(H,90,103)(H,91,110)(H,92,109)(H,93,107)(H,100,101)(H4,77,78,81)(H4,79,80,82)/t41-,42+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using Boc-QAR-MCA as substrate measured every 30 secs for 10 mins


Eur J Med Chem 155: 695-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.029
BindingDB Entry DOI: 10.7270/Q29026CK
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM158146
PNG
(US9024044, 74 | US9227949, 74 | US9655879, 74)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C24H21FN3O6S/c1-24(2,23(33)28-14-7-13(21(30)31)8-15(29)10-14)11-16-4-6-19(35-16)22(32)34-18-5-3-12(20(26)27)9-17(18)25/h3-10H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.180n/an/an/an/an/an/an/an/a



EA Pharma Co., Ltd.

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


US Patent US9655879 (2017)


BindingDB Entry DOI: 10.7270/Q22Z17KS
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM158146
PNG
(US9024044, 74 | US9227949, 74 | US9655879, 74)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C24H21FN3O6S/c1-24(2,23(33)28-14-7-13(21(30)31)8-15(29)10-14)11-16-4-6-19(35-16)22(32)34-18-5-3-12(20(26)27)9-17(18)25/h3-10H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.180n/an/an/an/an/an/a8.0n/a



Ajinomoto Co. Inc

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...


US Patent US9024044 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MVB
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109692
PNG
(US8609715, B-49)
Show SMILES CC(CCC(=O)N[C@@H](CC(O)=O)C(O)=O)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N
Show InChI InChI=1S/C22H24FN3O7S/c1-11(2-7-18(27)26-15(21(30)31)10-19(28)29)8-13-4-6-17(34-13)22(32)33-16-5-3-12(20(24)25)9-14(16)23/h3-6,9,11,15H,2,7-8,10H2,1H3,(H3,24,25)(H,26,27)(H,28,29)(H,30,31)/t11?,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.180n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109629
PNG
(US8609715, B-20)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O7S/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(32-11)20(30)31-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.180n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM158146
PNG
(US9024044, 74 | US9227949, 74 | US9655879, 74)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C24H21FN3O6S/c1-24(2,23(33)28-14-7-13(21(30)31)8-15(29)10-14)11-16-4-6-19(35-16)22(32)34-18-5-3-12(20(26)27)9-17(18)25/h3-10H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.180n/an/an/an/an/an/a8.0n/a



Ajinomoto Co. Inc

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 uL) was mixed with 20 uM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 uL) mixed ...


US Patent US9227949 (2016)


BindingDB Entry DOI: 10.7270/Q2959GBT
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109668
PNG
(US8609715, B-25)
Show SMILES C[C@H](Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O7S/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(32-11)20(30)31-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9-,13+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.190n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM234247
PNG
(US9346821, B-14)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CCC[C@@H]3C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O)s2)c(F)c1
Show InChI InChI=1S/C21H23FN4O8S2/c22-13-8-11(18(23)24)3-5-16(13)34-21(30)17-6-4-12(35-17)9-26-7-1-2-15(26)19(27)25-14(20(28)29)10-36(31,32)33/h3-6,8,14-15H,1-2,7,9-10H2,(H3,23,24)(H,25,27)(H,28,29)(H,31,32,33)/t14-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
0.190n/an/an/an/an/an/a8.0n/a



Ajinomoto Co. Inc

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


US Patent US9346821 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73G2
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109710
PNG
(US8609715, C-4)
Show SMILES CC(Cc1ncc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H19FN4O7S/c1-8(17(27)24-11(18(28)29)6-15(25)26)4-14-23-7-13(32-14)19(30)31-12-3-2-9(16(21)22)5-10(12)20/h2-3,5,7-8,11H,4,6H2,1H3,(H3,21,22)(H,24,27)(H,25,26)(H,28,29)/t8?,11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109659
PNG
(US8609715, A-67)
Show SMILES CC(Cc1coc(c1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H21N3O8/c1-10(18(26)23-14(19(27)28)8-16(24)25)6-11-7-15(30-9-11)20(29)31-13-4-2-12(3-5-13)17(21)22/h2-5,7,9-10,14H,6,8H2,1H3,(H3,21,22)(H,23,26)(H,24,25)(H,27,28)/t10?,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM158140
PNG
(US9024044, 68 | US9227949, 68 | US9655879, 68)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.210n/an/an/an/an/an/an/an/a



EA Pharma Co., Ltd.

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


US Patent US9655879 (2017)


BindingDB Entry DOI: 10.7270/Q22Z17KS
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM158140
PNG
(US9024044, 68 | US9227949, 68 | US9655879, 68)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.210n/an/an/an/an/an/a8.0n/a



Ajinomoto Co. Inc

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...


US Patent US9024044 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MVB
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109684
PNG
(US8609715, B-41)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H20FN3O8S2/c1-9(17(24)23-13(18(25)26)8-33(28,29)30)6-11-3-5-15(32-11)19(27)31-14-4-2-10(16(21)22)7-12(14)20/h2-5,7,9,13H,6,8H2,1H3,(H3,21,22)(H,23,24)(H,25,26)(H,28,29,30)/t9?,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.210n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM234250
PNG
(US9346821, B-20)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CSC[C@H]3C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1
Show InChI InChI=1S/C21H21FN4O7S2/c22-12-5-10(18(23)24)1-3-15(12)33-21(32)16-4-2-11(35-16)7-26-9-34-8-14(26)19(29)25-13(20(30)31)6-17(27)28/h1-5,13-14H,6-9H2,(H3,23,24)(H,25,29)(H,27,28)(H,30,31)/t13-,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
0.210n/an/an/an/an/an/a8.0n/a



Ajinomoto Co. Inc

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


US Patent US9346821 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73G2
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM158140
PNG
(US9024044, 68 | US9227949, 68 | US9655879, 68)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.210n/an/an/an/an/an/a8.0n/a



Ajinomoto Co. Inc

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 uL) was mixed with 20 uM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 uL) mixed ...


US Patent US9227949 (2016)


BindingDB Entry DOI: 10.7270/Q2959GBT
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109685
PNG
(US8609715, B-42)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCP(O)(O)=O
Show InChI InChI=1S/C17H19FN3O6PS/c1-9(16(22)21-8-28(24,25)26)6-11-3-5-14(29-11)17(23)27-13-4-2-10(15(19)20)7-12(13)18/h2-5,7,9H,6,8H2,1H3,(H3,19,20)(H,21,22)(H2,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.220n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109622
PNG
(US8609715, B-8)
Show SMILES C\C(=C/c1ccc(s1)C(=O)Oc1ccc(cc1[N+]([O-])=O)C(N)=N)C(O)=O
Show InChI InChI=1S/C16H13N3O6S/c1-8(15(20)21)6-10-3-5-13(26-10)16(22)25-12-4-2-9(14(17)18)7-11(12)19(23)24/h2-7H,1H3,(H3,17,18)(H,20,21)/b8-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.220n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50076219
PNG
((3S,6R)-6-Amino-6-benzyl-octahydro-indolizine-3-ca...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H37N7O2S/c30-28(31)33-16-6-10-22(25(37)27-35-21-9-4-5-11-24(21)39-27)34-26(38)23-13-12-20-14-15-29(32,18-36(20)23)17-19-7-2-1-3-8-19/h1-5,7-9,11,20,22-23H,6,10,12-18,32H2,(H,34,38)(H4,30,31,33)/t20?,22-,23-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Molecumetics Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin.


J Med Chem 42: 1367-75 (1999)


Article DOI: 10.1021/jm980354p
BindingDB Entry DOI: 10.7270/Q20Z72G1
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109660
PNG
(US8609715, A-68)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C23H19N3O8/c24-20(25)13-5-7-15(8-6-13)33-23(32)18-10-9-17(34-18)12-1-3-14(4-2-12)21(29)26-16(22(30)31)11-19(27)28/h1-10,16H,11H2,(H3,24,25)(H,26,29)(H,27,28)(H,30,31)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.230n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50449680
PNG
(CHEMBL4170662)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O
Show InChI InChI=1S/C74H104N20O18S2/c1-4-39(2)58-68(108)89-51-37-113-114-38-52(88-61(101)45(19-10-26-79-73(75)76)82-56(97)35-81-60(100)47(34-57(98)99)84-66(106)53-21-12-28-92(53)70(110)48(86-64(51)104)32-41-15-6-5-7-16-41)65(105)91-59(40(3)96)69(109)83-46(20-11-27-80-74(77)78)62(102)87-50(36-95)63(103)85-49(33-42-24-25-43-17-8-9-18-44(43)31-42)71(111)94-30-14-23-55(94)72(112)93-29-13-22-54(93)67(107)90-58/h5-9,15-18,24-25,31,39-40,45-55,58-59,95-96H,4,10-14,19-23,26-30,32-38H2,1-3H3,(H,81,100)(H,82,97)(H,83,109)(H,84,106)(H,85,103)(H,86,104)(H,87,102)(H,88,101)(H,89,108)(H,90,107)(H,91,105)(H,98,99)(H4,75,76,79)(H4,77,78,80)/t39-,40+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.230n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using Boc-QAR-MCA as substrate measured every 30 secs for 10 mins


Eur J Med Chem 155: 695-704 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.029
BindingDB Entry DOI: 10.7270/Q29026CK
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50088657
PNG
(CHEMBL11181 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES CC(C)C[C@]1(C)Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O
Show InChI InChI=1S/C23H31N5O3/c1-13(2)9-23(5)10-17-8-14(3)28(21(30)20(17)27-22(23)31)12-19(29)25-11-16-6-7-18(24)26-15(16)4/h6-8,13H,9-12H2,1-5H3,(H2,24,26)(H,25,29)(H,27,31)/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.240n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its ability to inhibit thrombin.


Bioorg Med Chem Lett 10: 1069-72 (2000)


Article DOI: 10.1016/s0960-894x(00)00170-0
BindingDB Entry DOI: 10.7270/Q2DZ07J2
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM234266
PNG
(US9346821, B-55)
Show SMILES NC(=N)c1ccc(OC(=O)c2cc3CCN(Cc3s2)C(=O)N[C@@H](CC(O)=O)C(O)=O)c(F)c1
Show InChI InChI=1S/C20H19FN4O7S/c21-11-5-10(17(22)23)1-2-13(11)32-19(30)14-6-9-3-4-25(8-15(9)33-14)20(31)24-12(18(28)29)7-16(26)27/h1-2,5-6,12H,3-4,7-8H2,(H3,22,23)(H,24,31)(H,26,27)(H,28,29)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
0.240n/an/an/an/an/an/a8.0n/a



Ajinomoto Co. Inc

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


US Patent US9346821 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73G2
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM234237
PNG
(US9346821, A-5)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CCC[C@@H]3C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O)o2)cc1
Show InChI InChI=1S/C21H24N4O9S/c22-18(23)12-3-5-13(6-4-12)34-21(29)17-8-7-14(33-17)10-25-9-1-2-16(25)19(26)24-15(20(27)28)11-35(30,31)32/h3-8,15-16H,1-2,9-11H2,(H3,22,23)(H,24,26)(H,27,28)(H,30,31,32)/t15-,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
0.240n/an/an/an/an/an/a8.0n/a



Ajinomoto Co. Inc

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


US Patent US9346821 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73G2
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50111121
PNG
(2N-(4-Benzamidinemethyl)-1-[2-Cyclohexylaminosulfo...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(=O)(=O)NC2CCCCC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C34H42N6O4S/c35-32(36)27-20-18-24(19-21-27)23-37-33(41)29-17-10-22-40(29)34(42)31(39-45(43,44)38-28-15-8-3-9-16-28)30(25-11-4-1-5-12-25)26-13-6-2-7-14-26/h1-2,4-7,11-14,18-21,28-31,38-39H,3,8-10,15-17,22-23H2,(H3,35,36)(H,37,41)/t29-,31+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.25n/an/an/an/an/an/an/an/a



Life Science R & D, LGCI

Curated by ChEMBL


Assay Description
Binding affinity against bovine trypsin


Bioorg Med Chem Lett 12: 1017-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00093-8
BindingDB Entry DOI: 10.7270/Q2CV4J9T
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM234243
PNG
(US9346821, B-10)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CCC[C@H]3C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O)s2)c(F)c1
Show InChI InChI=1S/C21H23FN4O8S2/c22-13-8-11(18(23)24)3-5-16(13)34-21(30)17-6-4-12(35-17)9-26-7-1-2-15(26)19(27)25-14(20(28)29)10-36(31,32)33/h3-6,8,14-15H,1-2,7,9-10H2,(H3,23,24)(H,25,27)(H,28,29)(H,31,32,33)/t14-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
0.25n/an/an/an/an/an/a8.0n/a



Ajinomoto Co. Inc

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


US Patent US9346821 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73G2
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50088659
PNG
(CHEMBL10346 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES CC(C)CC1(CC(C)C)Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O
Show InChI InChI=1S/C26H37N5O3/c1-15(2)10-26(11-16(3)4)12-20-9-17(5)31(24(33)23(20)30-25(26)34)14-22(32)28-13-19-7-8-21(27)29-18(19)6/h7-9,15-16H,10-14H2,1-6H3,(H2,27,29)(H,28,32)(H,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its ability to inhibit thrombin.


Bioorg Med Chem Lett 10: 1069-72 (2000)


Article DOI: 10.1016/s0960-894x(00)00170-0
BindingDB Entry DOI: 10.7270/Q2DZ07J2
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109700
PNG
(US8609715, B-57)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(s2)-c2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)c(F)c1
Show InChI InChI=1S/C23H18FN3O7S/c24-14-9-13(20(25)26)5-6-16(14)34-23(33)18-8-7-17(35-18)11-1-3-12(4-2-11)21(30)27-15(22(31)32)10-19(28)29/h1-9,15H,10H2,(H3,25,26)(H,27,30)(H,28,29)(H,31,32)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.270n/an/an/an/an/an/an/an/a



Ajinomoto Co. Inc

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50034579
PNG
(CHEMBL290577 | Peptide boronate)
Show SMILES CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C38H52BN3O6/c1-7-36(2,3)34(39-47-31-23-27-22-30(37(27,4)5)38(31,6)48-39)41-32(43)29-19-14-20-42(29)33(44)28(21-25-15-10-8-11-16-25)40-35(45)46-24-26-17-12-9-13-18-26/h8-13,15-18,27-31,34H,7,14,19-24H2,1-6H3,(H,40,45)(H,41,43)/t27?,28-,29-,30?,31+,34?,38-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Trypsin


J Med Chem 38: 1511-22 (1995)


Article DOI: 10.1021/jm00009a012
BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 3687 total )  |  Next  |  Last  >>
Jump to: