Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50008338 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Plasminogen
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0410 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0510 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.140 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518247
(CHEMBL4454304)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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(N)=O)C(=O)NCC(=O)NC(CCCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C73H110N22O17S2/c1-3-40(2)58-68(109)91-52-39-114-113-38-51(90-60(101)44(18-8-10-28-80-72(76)77)83-57(99)36-82-59(100)48(35-56(75)98)87-66(107)53-20-12-30-93(53)70(111)49(88-65(52)106)34-41-15-5-4-6-16-41)64(105)86-47(33-42-23-25-43(97)26-24-42)62(103)84-45(17-7-9-27-74)61(102)89-50(37-96)63(104)85-46(19-11-29-81-73(78)79)69(110)95-32-14-22-55(95)71(112)94-31-13-21-54(94)67(108)92-58/h4-6,15-16,23-26,40,44-55,58,96-97H,3,7-14,17-22,27-39,74H2,1-2H3,(H2,75,98)(H,82,100)(H,83,99)(H,84,103)(H,85,104)(H,86,105)(H,87,107)(H,88,106)(H,89,102)(H,90,101)(H,91,109)(H,92,108)(H4,76,77,80)(H4,78,79,81)/t40-,44?,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.210 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518253
(CHEMBL4579797)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)C(CCCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C79H121N25O19S2/c1-3-43(2)62-73(120)100-56-42-125-124-41-55(99-64(111)47(20-11-31-88-78(83)84)91-60(107)39-90-63(110)52(38-61(108)109)96-71(118)57-22-13-33-102(57)75(122)53(97-70(56)117)37-44-16-5-4-6-17-44)69(116)95-51(36-45-25-27-46(106)28-26-45)67(114)92-48(18-7-9-29-80)66(113)98-54(40-105)68(115)93-49(21-12-32-89-79(85)86)65(112)94-50(19-8-10-30-87-77(81)82)74(121)104-35-15-24-59(104)76(123)103-34-14-23-58(103)72(119)101-62/h4-6,16-17,25-28,43,47-59,62,105-106H,3,7-15,18-24,29-42,80H2,1-2H3,(H,90,110)(H,91,107)(H,92,114)(H,93,115)(H,94,112)(H,95,116)(H,96,118)(H,97,117)(H,98,113)(H,99,111)(H,100,120)(H,101,119)(H,108,109)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t43-,47-,48-,49-,50?,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.450 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518252
(CHEMBL4592533)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)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 |r| Show InChI InChI=1S/C72H107N19O17S2/c1-3-41(2)58-68(105)87-52-40-110-109-39-51(86-60(97)44(24-14-30-77-72(75)76)79-56(93)37-78-59(96)48(36-57(94)95)83-66(103)53-25-15-31-89(53)70(107)49(84-65(52)102)35-43-20-8-5-9-21-43)64(101)82-47(34-42-18-6-4-7-19-42)62(99)80-45(22-10-12-28-73)61(98)85-50(38-92)63(100)81-46(23-11-13-29-74)69(106)91-33-17-27-55(91)71(108)90-32-16-26-54(90)67(104)88-58/h4-9,18-21,41,44-55,58,92H,3,10-17,22-40,73-74H2,1-2H3,(H,78,96)(H,79,93)(H,80,99)(H,81,100)(H,82,101)(H,83,103)(H,84,102)(H,85,98)(H,86,97)(H,87,105)(H,88,104)(H,94,95)(H4,75,76,77)/t41-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.610 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518255
(CHEMBL4443353)Show SMILES NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)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 |r| Show InChI InChI=1S/C70H102N20O19S2/c71-24-6-4-14-42-59(99)85-48(35-91)62(102)80-43(15-5-7-25-72)67(107)90-29-11-19-53(90)69(109)89-28-10-18-52(89)66(106)82-45(32-54(73)93)61(101)87-50-37-111-110-36-49(63(103)81-44(60(100)79-42)30-39-20-22-40(92)23-21-39)86-58(98)41(16-8-26-76-70(74)75)78-55(94)34-77-57(97)46(33-56(95)96)83-65(105)51-17-9-27-88(51)68(108)47(84-64(50)104)31-38-12-2-1-3-13-38/h1-3,12-13,20-23,41-53,91-92H,4-11,14-19,24-37,71-72H2,(H2,73,93)(H,77,97)(H,78,94)(H,79,100)(H,80,102)(H,81,103)(H,82,106)(H,83,105)(H,84,104)(H,85,99)(H,86,98)(H,87,101)(H,95,96)(H4,74,75,76)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.660 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518243
(CHEMBL4435567)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)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 |r| Show InChI InChI=1S/C74H108N20O17S2/c1-3-41(2)60-70(108)90-54-40-113-112-39-53(89-62(100)46(23-13-29-79-74(77)78)82-58(96)37-81-61(99)50(35-59(97)98)86-68(106)55-24-14-30-92(55)72(110)51(87-67(54)105)33-42-17-5-4-6-18-42)66(104)85-49(34-43-36-80-45-20-8-7-19-44(43)45)64(102)83-47(21-9-11-27-75)63(101)88-52(38-95)65(103)84-48(22-10-12-28-76)71(109)94-32-16-26-57(94)73(111)93-31-15-25-56(93)69(107)91-60/h4-8,17-20,36,41,46-57,60,80,95H,3,9-16,21-35,37-40,75-76H2,1-2H3,(H,81,99)(H,82,96)(H,83,102)(H,84,103)(H,85,104)(H,86,106)(H,87,105)(H,88,101)(H,89,100)(H,90,108)(H,91,107)(H,97,98)(H4,77,78,79)/t41-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.660 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518239
(CHEMBL4453437)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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](CCC(O)=O)C(=O)NCC(=O)NC(CCCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C74H111N21O18S2/c1-3-41(2)59-69(110)91-53-40-115-114-39-52(90-61(102)45(18-8-10-30-80-73(76)77)83-57(98)37-82-60(101)47(27-28-58(99)100)85-67(108)54-20-12-32-93(54)71(112)50(88-66(53)107)36-42-15-5-4-6-16-42)65(106)87-49(35-43-23-25-44(97)26-24-43)63(104)84-46(17-7-9-29-75)62(103)89-51(38-96)64(105)86-48(19-11-31-81-74(78)79)70(111)95-34-14-22-56(95)72(113)94-33-13-21-55(94)68(109)92-59/h4-6,15-16,23-26,41,45-56,59,96-97H,3,7-14,17-22,27-40,75H2,1-2H3,(H,82,101)(H,83,98)(H,84,104)(H,85,108)(H,86,105)(H,87,106)(H,88,107)(H,89,103)(H,90,102)(H,91,110)(H,92,109)(H,99,100)(H4,76,77,80)(H4,78,79,81)/t41-,45?,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518245
(CHEMBL4471930)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C72H108N22O17S2/c1-3-39(2)57-67(108)90-51-38-113-112-37-50(89-59(100)43(17-9-27-79-71(75)76)82-56(98)35-81-58(99)47(34-55(74)97)86-65(106)52-19-11-29-92(52)69(110)48(87-64(51)105)33-40-14-5-4-6-15-40)63(104)85-46(32-41-22-24-42(96)25-23-41)61(102)83-44(16-7-8-26-73)60(101)88-49(36-95)62(103)84-45(18-10-28-80-72(77)78)68(109)94-31-13-21-54(94)70(111)93-30-12-20-53(93)66(107)91-57/h4-6,14-15,22-25,39,43-54,57,95-96H,3,7-13,16-21,26-38,73H2,1-2H3,(H2,74,97)(H,81,99)(H,82,98)(H,83,102)(H,84,103)(H,85,104)(H,86,106)(H,87,105)(H,88,101)(H,89,100)(H,90,108)(H,91,107)(H4,75,76,79)(H4,77,78,80)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518251
(CHEMBL4515559)Show SMILES NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)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 |r| Show InChI InChI=1S/C71H104N20O19S2/c72-26-6-4-14-43-60(100)86-49(36-92)63(103)82-45(15-5-7-27-73)68(108)91-31-11-19-54(91)70(110)90-30-10-18-53(90)66(106)81-44(24-25-55(74)94)61(101)88-51-38-112-111-37-50(64(104)83-46(62(102)80-43)32-40-20-22-41(93)23-21-40)87-59(99)42(16-8-28-77-71(75)76)79-56(95)35-78-58(98)47(34-57(96)97)84-67(107)52-17-9-29-89(52)69(109)48(85-65(51)105)33-39-12-2-1-3-13-39/h1-3,12-13,20-23,42-54,92-93H,4-11,14-19,24-38,72-73H2,(H2,74,94)(H,78,98)(H,79,95)(H,80,102)(H,81,106)(H,82,103)(H,83,104)(H,84,107)(H,85,105)(H,86,100)(H,87,99)(H,88,101)(H,96,97)(H4,75,76,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518244
(CHEMBL4550948)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)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/C67H105N21O18S2/c1-4-35(2)51-61(102)83-44-33-107-108-34-45(82-54(95)38(18-10-24-73-66(69)70)76-49(91)31-75-53(94)41(30-50(92)93)79-59(100)46-20-12-26-86(46)64(105)42(80-57(44)98)29-37-15-6-5-7-16-37)58(99)85-52(36(3)90)62(103)77-39(17-8-9-23-68)55(96)81-43(32-89)56(97)78-40(19-11-25-74-67(71)72)63(104)88-28-14-22-48(88)65(106)87-27-13-21-47(87)60(101)84-51/h5-7,15-16,35-36,38-48,51-52,89-90H,4,8-14,17-34,68H2,1-3H3,(H,75,94)(H,76,91)(H,77,103)(H,78,97)(H,79,100)(H,80,98)(H,81,96)(H,82,95)(H,83,102)(H,84,101)(H,85,99)(H,92,93)(H4,69,70,73)(H4,71,72,74)/t35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518246
(CHEMBL4563203)Show SMILES NCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H108N20O18S2/c73-27-7-4-16-45-61(100)87-51(38-93)64(103)83-47(18-6-9-29-75)69(108)92-33-13-22-56(92)71(110)91-32-12-21-55(91)67(106)82-46(17-5-8-28-74)62(101)89-53-40-112-111-39-52(65(104)84-48(63(102)81-45)34-42-23-25-43(94)26-24-42)88-60(99)44(19-10-30-78-72(76)77)80-57(95)37-79-59(98)49(36-58(96)97)85-68(107)54-20-11-31-90(54)70(109)50(86-66(53)105)35-41-14-2-1-3-15-41/h1-3,14-15,23-26,44-56,93-94H,4-13,16-22,27-40,73-75H2,(H,79,98)(H,80,95)(H,81,102)(H,82,106)(H,83,103)(H,84,104)(H,85,107)(H,86,105)(H,87,100)(H,88,99)(H,89,101)(H,96,97)(H4,76,77,78)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518254
(CHEMBL4585149)Show SMILES NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)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 |r| Show InChI InChI=1S/C72H108N22O18S2/c73-26-6-4-15-44-60(102)89-50(37-95)63(105)85-46(16-5-7-27-74)68(110)94-32-12-21-55(94)70(112)93-31-11-20-54(93)66(108)84-45(18-9-29-80-72(77)78)61(103)91-52-39-114-113-38-51(64(106)86-47(62(104)83-44)33-41-22-24-42(96)25-23-41)90-59(101)43(17-8-28-79-71(75)76)82-56(97)36-81-58(100)48(35-57(98)99)87-67(109)53-19-10-30-92(53)69(111)49(88-65(52)107)34-40-13-2-1-3-14-40/h1-3,13-14,22-25,43-55,95-96H,4-12,15-21,26-39,73-74H2,(H,81,100)(H,82,97)(H,83,104)(H,84,108)(H,85,105)(H,86,106)(H,87,109)(H,88,107)(H,89,102)(H,90,101)(H,91,103)(H,98,99)(H4,75,76,79)(H4,77,78,80)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.70 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518250
(CHEMBL4483688)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(18-10-28-79-72(76)77)60(101)87-49(36-94)62(103)83-45(16-7-8-26-73)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.30 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | 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
Inhibition of bovine cationic trypsin using Bz-FVR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518248
(CHEMBL4580142)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)CN2 |r| Show InChI InChI=1S/C74H111N21O19S2/c1-3-40(2)59-69(111)91-53-39-116-115-38-52(82-36-43(16-9-27-80-73(76)77)83-61(103)48(34-57(98)99)87-63(105)49(35-58(100)101)88-67(109)54-19-11-29-93(54)71(113)50(89-66(53)108)33-41-14-5-4-6-15-41)65(107)86-47(32-42-22-24-44(97)25-23-42)62(104)84-45(17-7-8-26-75)60(102)90-51(37-96)64(106)85-46(18-10-28-81-74(78)79)70(112)95-31-13-21-56(95)72(114)94-30-12-20-55(94)68(110)92-59/h4-6,14-15,22-25,40,43,45-56,59,82,96-97H,3,7-13,16-21,26-39,75H2,1-2H3,(H,83,103)(H,84,104)(H,85,106)(H,86,107)(H,87,105)(H,88,109)(H,89,108)(H,90,102)(H,91,111)(H,92,110)(H,98,99)(H,100,101)(H4,76,77,80)(H4,78,79,81)/t40-,43-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518238
(CHEMBL4558203)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N23O18S2/c1-3-38(2)56-66(110)91-50-37-115-114-36-49(90-58(102)42(15-7-25-79-70(73)74)83-54(98)34-82-57(101)46(33-55(99)100)87-64(108)51-18-10-28-93(51)68(112)47(88-63(50)107)32-39-13-5-4-6-14-39)62(106)86-45(31-40-21-23-41(97)24-22-40)60(104)84-43(16-8-26-80-71(75)76)59(103)89-48(35-96)61(105)85-44(17-9-27-81-72(77)78)67(111)95-30-12-20-53(95)69(113)94-29-11-19-52(94)65(109)92-56/h4-6,13-14,21-24,38,42-53,56,96-97H,3,7-12,15-20,25-37H2,1-2H3,(H,82,101)(H,83,98)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,107)(H,89,103)(H,90,102)(H,91,110)(H,92,109)(H,99,100)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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
Inhibition of bovine cationic trypsin using Bz-FVR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50518242
(CHEMBL4458397)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](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)[C@@H](C)CC |r| Show InChI InChI=1S/C67H104N20O18S2/c1-6-34(3)50-61(101)81-43-32-106-107-33-44(80-54(94)38(18-11-23-72-66(68)69)75-48(90)30-74-53(93)40(29-49(91)92)77-59(99)45-20-13-25-85(45)63(103)41(78-57(43)97)28-37-16-9-8-10-17-37)58(98)84-52(36(5)89)62(102)76-39(19-12-24-73-67(70)71)55(95)79-42(31-88)56(96)83-51(35(4)7-2)65(105)87-27-15-22-47(87)64(104)86-26-14-21-46(86)60(100)82-50/h8-10,16-17,34-36,38-47,50-52,88-89H,6-7,11-15,18-33H2,1-5H3,(H,74,93)(H,75,90)(H,76,102)(H,77,99)(H,78,97)(H,79,95)(H,80,94)(H,81,101)(H,82,100)(H,83,96)(H,84,98)(H,91,92)(H4,68,69,72)(H4,70,71,73)/t34-,35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 120 | 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
Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 160 | 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
Inhibition of bovine cationic trypsin using Bz-FVR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | 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
Inhibition of recombinant human matriptase catalytic domain pre-incubated for 60 mins before Boc QAR-AMC substrate addition |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.80E+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
Inhibition of human cathepsin G using Suc-AAPF-MCA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+4 | 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
Inhibition of activated beta-factor 11 (unknown origin) using Bz-FVRpNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+4 | 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
Inhibition of human cathepsin G using Suc-AAPF-MCA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90E+4 | 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
Inhibition of human cathepsin G using Suc-AAPF-MCA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20E+4 | 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
Inhibition of plasma KLK (unknown origin) using Ac-NLTR-pNA as substrate after 30 mins |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of uPA (unknown origin) using Z-Pyr-Gly-Arg-MCA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of uPA (unknown origin) using Z-Pyr-Gly-Arg-MCA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of plasma KLK (unknown origin) using Ac-NLTR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of matriptase (unknown origin) using Boc-QAR-MCA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of tPA (unknown origin) using Z-Pyr-Gly-Arg-MCA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of plasma KLK (unknown origin) using Ac-NLTR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of matriptase (unknown origin) using Boc-QAR-MCA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated beta-factor 11 (unknown origin) using Bz-FVRpNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of human thrombin using Ac-ATPR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of human thrombin using Ac-ATPR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated beta-factor 12 (unknown origin) using Ac-QRFR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated beta-factor 12 (unknown origin) using Ac-QRFR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of uPA (unknown origin) using Z-Pyr-Gly-Arg-MCA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated beta-factor 11 (unknown origin) using Bz-FVRpNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated beta-factor 9 (unknown origin) using Boc-QGR-MCA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of tPA (unknown origin) using Z-Pyr-Gly-Arg-MCA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated factor 10 (unknown origin) using Ac-QRSR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of human thrombin using Ac-ATPR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated beta-factor 9 (unknown origin) using Boc-QGR-MCA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated factor 10 (unknown origin) using Ac-QRSR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50518249
(CHEMBL4588827)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](Cc2ccc(O)cc2)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)CC |r| Show InChI InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated beta-factor 9 (unknown origin) using Boc-QGR-MCA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50518240
(CHEMBL4439523)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated factor 10 (unknown origin) using Ac-QRSR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50518241
(CHEMBL4569923)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)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 |r| Show InChI InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+4 | 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
Inhibition of activated beta-factor 12 (unknown origin) using Ac-QRFR-pNA as substrate after 30 mins relative to untreated control |
J Med Chem 62: 552-560 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01139
BindingDB Entry DOI: 10.7270/Q2MS3X3S |
More data for this
Ligand-Target Pair | |
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