Found 7 hits for monomerid = 50502656 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 |
Leukocyte proteinase 3
(Homo sapiens (Human)) | BDBM50502656
(CHEMBL4455694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C77H98N16O19S2/c1-4-41(3)64-74(109)89-57-40-114-113-39-56(88-67(102)50(32-42-17-23-46(24-18-42)45-12-7-6-8-13-45)81-63(99)37-80-65(100)52(35-61(78)97)84-72(107)58-14-9-29-91(58)76(111)54(36-62(79)98)86-71(57)106)70(105)83-51(33-43-19-25-47(95)26-20-43)68(103)82-49(5-2)66(101)87-55(38-94)69(104)85-53(34-44-21-27-48(96)28-22-44)75(110)93-31-11-16-60(93)77(112)92-30-10-15-59(92)73(108)90-64/h6-8,12-13,17-28,41,49-60,64,94-96H,4-5,9-11,14-16,29-40H2,1-3H3,(H2,78,97)(H2,79,98)(H,80,100)(H,81,99)(H,82,103)(H,83,105)(H,84,107)(H,85,104)(H,86,106)(H,87,101)(H,88,102)(H,89,109)(H,90,108)/t41-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 17 | 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 purified human proteinase 3 using MeOSuc-AAPV-MCA as substrate by fluorescence based assay |
ACS Med Chem Lett 10: 1234-1239 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00253 |
More data for this Ligand-Target Pair | |
Leukocyte elastase
(Homo sapiens (Human)) | BDBM50502656
(CHEMBL4455694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C77H98N16O19S2/c1-4-41(3)64-74(109)89-57-40-114-113-39-56(88-67(102)50(32-42-17-23-46(24-18-42)45-12-7-6-8-13-45)81-63(99)37-80-65(100)52(35-61(78)97)84-72(107)58-14-9-29-91(58)76(111)54(36-62(79)98)86-71(57)106)70(105)83-51(33-43-19-25-47(95)26-20-43)68(103)82-49(5-2)66(101)87-55(38-94)69(104)85-53(34-44-21-27-48(96)28-22-44)75(110)93-31-11-16-60(93)77(112)92-30-10-15-59(92)73(108)90-64/h6-8,12-13,17-28,41,49-60,64,94-96H,4-5,9-11,14-16,29-40H2,1-3H3,(H2,78,97)(H2,79,98)(H,80,100)(H,81,99)(H,82,103)(H,83,105)(H,84,107)(H,85,104)(H,86,106)(H,87,101)(H,88,102)(H,89,109)(H,90,108)/t41-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 24 | 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 neutrophil elastase using MeOSuc-AAPV-MCA as substrate by fluorescence based assay |
ACS Med Chem Lett 10: 1234-1239 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00253 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50502656
(CHEMBL4455694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C77H98N16O19S2/c1-4-41(3)64-74(109)89-57-40-114-113-39-56(88-67(102)50(32-42-17-23-46(24-18-42)45-12-7-6-8-13-45)81-63(99)37-80-65(100)52(35-61(78)97)84-72(107)58-14-9-29-91(58)76(111)54(36-62(79)98)86-71(57)106)70(105)83-51(33-43-19-25-47(95)26-20-43)68(103)82-49(5-2)66(101)87-55(38-94)69(104)85-53(34-44-21-27-48(96)28-22-44)75(110)93-31-11-16-60(93)77(112)92-30-10-15-59(92)73(108)90-64/h6-8,12-13,17-28,41,49-60,64,94-96H,4-5,9-11,14-16,29-40H2,1-3H3,(H2,78,97)(H2,79,98)(H,80,100)(H,81,99)(H,82,103)(H,83,105)(H,84,107)(H,85,104)(H,86,106)(H,87,101)(H,88,102)(H,89,109)(H,90,108)/t41-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | 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 alpha thrombin using Boc-VPR-MCA as substrate by fluorescence based assay |
ACS Med Chem Lett 10: 1234-1239 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00253 |
More data for this Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50502656
(CHEMBL4455694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C77H98N16O19S2/c1-4-41(3)64-74(109)89-57-40-114-113-39-56(88-67(102)50(32-42-17-23-46(24-18-42)45-12-7-6-8-13-45)81-63(99)37-80-65(100)52(35-61(78)97)84-72(107)58-14-9-29-91(58)76(111)54(36-62(79)98)86-71(57)106)70(105)83-51(33-43-19-25-47(95)26-20-43)68(103)82-49(5-2)66(101)87-55(38-94)69(104)85-53(34-44-21-27-48(96)28-22-44)75(110)93-31-11-16-60(93)77(112)92-30-10-15-59(92)73(108)90-64/h6-8,12-13,17-28,41,49-60,64,94-96H,4-5,9-11,14-16,29-40H2,1-3H3,(H2,78,97)(H2,79,98)(H,80,100)(H,81,99)(H,82,103)(H,83,105)(H,84,107)(H,85,104)(H,86,106)(H,87,101)(H,88,102)(H,89,109)(H,90,108)/t41-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | 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 trypsin using Boc-VPR-MCA as substrate by fluorescence based assay |
ACS Med Chem Lett 10: 1234-1239 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00253 |
More data for this Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50502656
(CHEMBL4455694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C77H98N16O19S2/c1-4-41(3)64-74(109)89-57-40-114-113-39-56(88-67(102)50(32-42-17-23-46(24-18-42)45-12-7-6-8-13-45)81-63(99)37-80-65(100)52(35-61(78)97)84-72(107)58-14-9-29-91(58)76(111)54(36-62(79)98)86-71(57)106)70(105)83-51(33-43-19-25-47(95)26-20-43)68(103)82-49(5-2)66(101)87-55(38-94)69(104)85-53(34-44-21-27-48(96)28-22-44)75(110)93-31-11-16-60(93)77(112)92-30-10-15-59(92)73(108)90-64/h6-8,12-13,17-28,41,49-60,64,94-96H,4-5,9-11,14-16,29-40H2,1-3H3,(H2,78,97)(H2,79,98)(H,80,100)(H,81,99)(H,82,103)(H,83,105)(H,84,107)(H,85,104)(H,86,106)(H,87,101)(H,88,102)(H,89,109)(H,90,108)/t41-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | 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 by fluorescence based assay |
ACS Med Chem Lett 10: 1234-1239 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00253 |
More data for this Ligand-Target Pair | |
Chymotrypsin
(Homo sapiens (Human)) | BDBM50502656
(CHEMBL4455694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C77H98N16O19S2/c1-4-41(3)64-74(109)89-57-40-114-113-39-56(88-67(102)50(32-42-17-23-46(24-18-42)45-12-7-6-8-13-45)81-63(99)37-80-65(100)52(35-61(78)97)84-72(107)58-14-9-29-91(58)76(111)54(36-62(79)98)86-71(57)106)70(105)83-51(33-43-19-25-47(95)26-20-43)68(103)82-49(5-2)66(101)87-55(38-94)69(104)85-53(34-44-21-27-48(96)28-22-44)75(110)93-31-11-16-60(93)77(112)92-30-10-15-59(92)73(108)90-64/h6-8,12-13,17-28,41,49-60,64,94-96H,4-5,9-11,14-16,29-40H2,1-3H3,(H2,78,97)(H2,79,98)(H,80,100)(H,81,99)(H,82,103)(H,83,105)(H,84,107)(H,85,104)(H,86,106)(H,87,101)(H,88,102)(H,89,109)(H,90,108)/t41-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of human chymotrypsin using Suc-AAPF-MCA as substrate by fluorescence based assay |
ACS Med Chem Lett 10: 1234-1239 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00253 |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50502656
(CHEMBL4455694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C77H98N16O19S2/c1-4-41(3)64-74(109)89-57-40-114-113-39-56(88-67(102)50(32-42-17-23-46(24-18-42)45-12-7-6-8-13-45)81-63(99)37-80-65(100)52(35-61(78)97)84-72(107)58-14-9-29-91(58)76(111)54(36-62(79)98)86-71(57)106)70(105)83-51(33-43-19-25-47(95)26-20-43)68(103)82-49(5-2)66(101)87-55(38-94)69(104)85-53(34-44-21-27-48(96)28-22-44)75(110)93-31-11-16-60(93)77(112)92-30-10-15-59(92)73(108)90-64/h6-8,12-13,17-28,41,49-60,64,94-96H,4-5,9-11,14-16,29-40H2,1-3H3,(H2,78,97)(H2,79,98)(H,80,100)(H,81,99)(H,82,103)(H,83,105)(H,84,107)(H,85,104)(H,86,106)(H,87,101)(H,88,102)(H,89,109)(H,90,108)/t41-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | 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 chymase expressed in Pichia pastoris using NleTDY-pNA as substrate by fluorescence based assay |
ACS Med Chem Lett 10: 1234-1239 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00253 |
More data for this Ligand-Target Pair | |