Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50449677' 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 |
|---|
Serine protease 1
(Bos taurus (bovine)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0620 | 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 beta-trypsin using Boc-QAR-MCA as substrate measured every 30 secs for 10 mins |
Eur J Med Chem 155: 695-704 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.029
BindingDB Entry DOI: 10.7270/Q29026CK |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | 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
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.760 | 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 cationic trypsin using Boc-VPR-MCA as substrate measured every 30 secs for 10 mins |
Eur J Med Chem 155: 695-704 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.029
BindingDB Entry DOI: 10.7270/Q29026CK |
More data for this
Ligand-Target Pair | |
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