Found 17 hits of ki for UniProtKB: P35030 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Trypsin-3
(Homo sapiens (Human)) | BDBM50421510
(CHEMBL239127)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] 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
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of bovine beta trypsin |
Bioorg Med Chem Lett 11: 2515-9 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8M0Q |
More data for this
Ligand-Target Pair | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50449678
(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 |r| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human mesotrypsin using Z-GPR-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 | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50449679
(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 |r| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human mesotrypsin using Z-GPR-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 | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50449677
(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 |r| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human mesotrypsin using Z-GPR-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 | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50449680
(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 |r| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human mesotrypsin using Z-GPR-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 | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50449683
(CHEMBL4172833)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)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 |r| Show InChI InChI=1S/C70H102N18O18S2/c1-4-38(2)55-65(102)83-48-36-107-108-37-49(82-58(95)42(22-13-27-74-70(72)73)76-53(91)34-75-57(94)44(33-54(92)93)78-63(100)50-23-14-28-86(50)67(104)45(80-61(48)98)31-40-17-7-5-8-18-40)62(99)85-56(39(3)90)66(103)77-43(21-11-12-26-71)59(96)81-47(35-89)60(97)79-46(32-41-19-9-6-10-20-41)68(105)88-30-16-25-52(88)69(106)87-29-15-24-51(87)64(101)84-55/h5-10,17-20,38-39,42-52,55-56,89-90H,4,11-16,21-37,71H2,1-3H3,(H,75,94)(H,76,91)(H,77,103)(H,78,100)(H,79,97)(H,80,98)(H,81,96)(H,82,95)(H,83,102)(H,84,101)(H,85,99)(H,92,93)(H4,72,73,74)/t38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human mesotrypsin using Z-GPR-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 | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50449676
(CHEMBL4162159)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=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 |r| Show InChI InChI=1S/C63H96N18O18S2/c1-4-33(2)49-59(96)76-41-31-100-101-32-42(56(93)78-50(34(3)83)60(97)71-37(16-8-9-21-64)54(91)74-40(30-82)52(89)69-29-47(85)79-23-13-20-45(79)62(99)81-25-12-19-44(81)58(95)77-49)75-53(90)36(17-10-22-67-63(65)66)70-46(84)28-68-51(88)38(27-48(86)87)72-57(94)43-18-11-24-80(43)61(98)39(73-55(41)92)26-35-14-6-5-7-15-35/h5-7,14-15,33-34,36-45,49-50,82-83H,4,8-13,16-32,64H2,1-3H3,(H,68,88)(H,69,89)(H,70,84)(H,71,97)(H,72,94)(H,73,92)(H,74,91)(H,75,90)(H,76,96)(H,77,95)(H,78,93)(H,86,87)(H4,65,66,67)/t33-,34+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human mesotrypsin using Z-GPR-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 | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50449682
(CHEMBL4176209)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CO)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 |r| Show InChI InChI=1S/C64H98N18O19S2/c1-4-33(2)49-59(97)77-42-31-102-103-32-43(76-52(90)36(17-10-22-68-64(66)67)70-47(86)28-69-51(89)38(27-48(87)88)72-57(95)44-18-11-23-80(44)61(99)39(73-55(42)93)26-35-14-6-5-7-15-35)56(94)79-50(34(3)85)60(98)71-37(16-8-9-21-65)53(91)74-40(29-83)54(92)75-41(30-84)62(100)82-25-13-20-46(82)63(101)81-24-12-19-45(81)58(96)78-49/h5-7,14-15,33-34,36-46,49-50,83-85H,4,8-13,16-32,65H2,1-3H3,(H,69,89)(H,70,86)(H,71,98)(H,72,95)(H,73,93)(H,74,91)(H,75,92)(H,76,90)(H,77,97)(H,78,96)(H,79,94)(H,87,88)(H4,66,67,68)/t33-,34+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,49-,50-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 335 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human mesotrypsin using Z-GPR-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 | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50449675
(CHEMBL4175285)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=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 |r| Show InChI InChI=1S/C63H96N20O18S2/c1-4-32(2)48-58(98)78-40-30-102-103-31-41(77-52(92)35(15-8-20-68-62(64)65)72-45(86)27-70-50(90)37(26-47(88)89)74-56(96)42-17-10-23-82(42)60(100)38(75-54(40)94)25-34-13-6-5-7-14-34)55(95)80-49(33(3)85)59(99)73-36(16-9-21-69-63(66)67)53(93)76-39(29-84)51(91)71-28-46(87)81-22-12-19-44(81)61(101)83-24-11-18-43(83)57(97)79-48/h5-7,13-14,32-33,35-44,48-49,84-85H,4,8-12,15-31H2,1-3H3,(H,70,90)(H,71,91)(H,72,86)(H,73,99)(H,74,96)(H,75,94)(H,76,93)(H,77,92)(H,78,98)(H,79,97)(H,80,95)(H,88,89)(H4,64,65,68)(H4,66,67,69)/t32-,33+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,48-,49-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 369 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human mesotrypsin using Z-GPR-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 | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50449681
(CHEMBL4165595)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)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 |r| Show InChI InChI=1S/C65H98N18O20S2/c1-4-33(2)50-60(99)78-42-31-104-105-32-43(77-53(92)36(17-10-22-69-65(67)68)71-47(86)29-70-52(91)38(27-48(87)88)73-58(97)44-18-11-23-81(44)62(101)39(74-56(42)95)26-35-14-6-5-7-15-35)57(96)80-51(34(3)85)61(100)72-37(16-8-9-21-66)54(93)76-41(30-84)55(94)75-40(28-49(89)90)63(102)83-25-13-20-46(83)64(103)82-24-12-19-45(82)59(98)79-50/h5-7,14-15,33-34,36-46,50-51,84-85H,4,8-13,16-32,66H2,1-3H3,(H,70,91)(H,71,86)(H,72,100)(H,73,97)(H,74,95)(H,75,94)(H,76,93)(H,77,92)(H,78,99)(H,79,98)(H,80,96)(H,87,88)(H,89,90)(H4,67,68,69)/t33-,34+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 402 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human mesotrypsin using Z-GPR-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 | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50037996
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma KG
Curated by ChEMBL
| Assay Description
Inhibitory Activity against bovine beta-trypsin |
J Med Chem 43: 3033-44 (2000)
BindingDB Entry DOI: 10.7270/Q20R9Q3N |
More data for this
Ligand-Target Pair | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50124947
(CHEMBL453539)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| 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
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human mesotrypsin using Z-GPR-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 | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50092660
(4-Amino-benzamidine | 4-aminobenzamidine | CHEMBL1...)Show InChI InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant trypsin 4 using tosyl-GPR-pNA substrate by spectrophotometry |
Bioorg Med Chem Lett 22: 4839-43 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.046
BindingDB Entry DOI: 10.7270/Q2QV3NKC |
More data for this
Ligand-Target Pair | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50387180
(CHEMBL2047998)Show InChI InChI=1S/C12H14N4O3S/c1-2-19-10(18)6-16-8-4-3-7(17)5-9(8)20-12(16)15-11(13)14/h3-5,17H,2,6H2,1H3,(H3,13,14)/b15-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.68E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant trypsin 4 using tosyl-GPR-pNA substrate by spectrophotometry |
Bioorg Med Chem Lett 22: 4839-43 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.046
BindingDB Entry DOI: 10.7270/Q2QV3NKC |
More data for this
Ligand-Target Pair | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50387183
(CHEMBL2048000)Show SMILES [#7]\[#6](-[#7])=[#7]\c1nc2cc(Cl)c(-[#8])cc2s1 Show InChI InChI=1S/C8H7ClN4OS/c9-3-1-4-6(2-5(3)14)15-8(12-4)13-7(10)11/h1-2,14H,(H4,10,11,12,13) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.76E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant trypsin 4 using tosyl-GPR-pNA substrate by spectrophotometry |
Bioorg Med Chem Lett 22: 4839-43 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.046
BindingDB Entry DOI: 10.7270/Q2QV3NKC |
More data for this
Ligand-Target Pair | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50387182
(CHEMBL2048003)Show SMILES [#6]-c1cc(-[#8])cc2sc(\[#7]=[#6](/[#7])-[#7])nc12 Show InChI InChI=1S/C9H10N4OS/c1-4-2-5(14)3-6-7(4)12-9(15-6)13-8(10)11/h2-3,14H,1H3,(H4,10,11,12,13) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant trypsin 4 using tosyl-GPR-pNA substrate by spectrophotometry |
Bioorg Med Chem Lett 22: 4839-43 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.046
BindingDB Entry DOI: 10.7270/Q2QV3NKC |
More data for this
Ligand-Target Pair | |
Trypsin-3
(Homo sapiens (Human)) | BDBM50387181
(CHEMBL2047999)Show InChI InChI=1S/C12H15N5O2S/c1-2-15-10(19)6-17-8-4-3-7(18)5-9(8)20-12(17)16-11(13)14/h3-5,18H,2,6H2,1H3,(H3,13,14)(H,15,19)/b16-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.09E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant trypsin 4 using tosyl-GPR-pNA substrate by spectrophotometry |
Bioorg Med Chem Lett 22: 4839-43 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.046
BindingDB Entry DOI: 10.7270/Q2QV3NKC |
More data for this
Ligand-Target Pair | |
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