Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50256284' 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 |
|---|
Plasma kallikrein
(Rattus norvegicus) | BDBM50256284
(CHEMBL4075544)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(O)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N2)c3 |r| Show InChI InChI=1S/C97H124N22O23S3/c1-47(2)28-64-83(127)114-71(88(132)105-50(5)97(141)142)44-143-41-52-29-53-31-54(30-52)43-145-46-73(96(140)119-27-15-24-76(119)92(136)109-65(32-55-38-101-61-19-10-7-16-58(55)61)84(128)107-69(37-79(123)124)82(126)104-49(4)94(138)117-25-13-22-74(117)90(134)108-64)115-86(130)66(33-56-39-102-62-20-11-8-17-59(56)62)110-91(135)75-23-14-26-118(75)95(139)70(36-78(100)122)112-85(129)67(34-57-40-103-63-21-12-9-18-60(57)63)111-93(137)80(51(6)120)116-87(131)68(35-77(99)121)106-89(133)72(45-144-42-53)113-81(125)48(3)98/h7-12,16-21,29-31,38-40,47-51,64-76,80,101-103,120H,13-15,22-28,32-37,41-46,98H2,1-6H3,(H2,99,121)(H2,100,122)(H,104,126)(H,105,132)(H,106,133)(H,107,128)(H,108,134)(H,109,136)(H,110,135)(H,111,137)(H,112,129)(H,113,125)(H,114,127)(H,115,130)(H,116,131)(H,123,124)(H,141,142)/t48-,49-,50-,51+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Sprague-Dawley rat plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins foll... |
J Med Chem 61: 2823-2836 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01625
BindingDB Entry DOI: 10.7270/Q2862JW6 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50256284
(CHEMBL4075544)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(O)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N2)c3 |r| Show InChI InChI=1S/C97H124N22O23S3/c1-47(2)28-64-83(127)114-71(88(132)105-50(5)97(141)142)44-143-41-52-29-53-31-54(30-52)43-145-46-73(96(140)119-27-15-24-76(119)92(136)109-65(32-55-38-101-61-19-10-7-16-58(55)61)84(128)107-69(37-79(123)124)82(126)104-49(4)94(138)117-25-13-22-74(117)90(134)108-64)115-86(130)66(33-56-39-102-62-20-11-8-17-59(56)62)110-91(135)75-23-14-26-118(75)95(139)70(36-78(100)122)112-85(129)67(34-57-40-103-63-21-12-9-18-60(57)63)111-93(137)80(51(6)120)116-87(131)68(35-77(99)121)106-89(133)72(45-144-42-53)113-81(125)48(3)98/h7-12,16-21,29-31,38-40,47-51,64-76,80,101-103,120H,13-15,22-28,32-37,41-46,98H2,1-6H3,(H2,99,121)(H2,100,122)(H,104,126)(H,105,132)(H,106,133)(H,107,128)(H,108,134)(H,109,136)(H,110,135)(H,111,137)(H,112,129)(H,113,125)(H,114,127)(H,115,130)(H,116,131)(H,123,124)(H,141,142)/t48-,49-,50-,51+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K.
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio... |
J Med Chem 61: 2823-2836 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01625
BindingDB Entry DOI: 10.7270/Q2862JW6 |
More data for this
Ligand-Target Pair | |
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