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BDBM50089095 CHEMBL216418::Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser-Ile

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)[C@H](C)CC)C(O)=O

InChI Key: InChIKey=KJFRMCLZOYOQQE-MODXBNNYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50089095   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50089095
PNG
(CHEMBL216418 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)[C@H](C)CC)C(O)=O
Show InChI InChI=1S/C53H86N10O14S2/c1-10-30(5)42(52(75)63-23-15-18-40(63)51(74)57-36(22-25-79-9)47(70)60-39(28-64)50(73)62-43(53(76)77)31(6)11-2)61-44(67)32(7)55-46(69)35(19-20-41(65)66)56-48(71)37(26-29(3)4)59-49(72)38(27-33-16-13-12-14-17-33)58-45(68)34(54)21-24-78-8/h12-14,16-17,29-32,34-40,42-43,64H,10-11,15,18-28,54H2,1-9H3,(H,55,69)(H,56,71)(H,57,74)(H,58,68)(H,59,72)(H,60,70)(H,61,67)(H,62,73)(H,65,66)(H,76,77)/t30-,31-,32-,34-,35-,36+,37-,38-,39+,40+,42-,43+/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



The Oxford Centre for Molecular Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition constant of the compound was tested against Human neutrophil elastase using the reporter substrate MeO-AAPV-pNa


Bioorg Med Chem Lett 10: 1219-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00194-3
BindingDB Entry DOI: 10.7270/Q2FQ9VTD
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50089095
PNG
(CHEMBL216418 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)[C@H](C)CC)C(O)=O
Show InChI InChI=1S/C53H86N10O14S2/c1-10-30(5)42(52(75)63-23-15-18-40(63)51(74)57-36(22-25-79-9)47(70)60-39(28-64)50(73)62-43(53(76)77)31(6)11-2)61-44(67)32(7)55-46(69)35(19-20-41(65)66)56-48(71)37(26-29(3)4)59-49(72)38(27-33-16-13-12-14-17-33)58-45(68)34(54)21-24-78-8/h12-14,16-17,29-32,34-40,42-43,64H,10-11,15,18-28,54H2,1-9H3,(H,55,69)(H,56,71)(H,57,74)(H,58,68)(H,59,72)(H,60,70)(H,61,67)(H,62,73)(H,65,66)(H,76,77)/t30-,31-,32-,34-,35-,36+,37-,38-,39+,40+,42-,43+/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



The Oxford Centre for Molecular Sciences

Curated by ChEMBL


Assay Description
Peptide was tested for inhibition constant for competitive inhibition using Suc-AAPA-pNa and Pancreatic elastase


Bioorg Med Chem Lett 10: 1219-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00194-3
BindingDB Entry DOI: 10.7270/Q2FQ9VTD
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50089095
PNG
(CHEMBL216418 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)[C@H](C)CC)C(O)=O
Show InChI InChI=1S/C53H86N10O14S2/c1-10-30(5)42(52(75)63-23-15-18-40(63)51(74)57-36(22-25-79-9)47(70)60-39(28-64)50(73)62-43(53(76)77)31(6)11-2)61-44(67)32(7)55-46(69)35(19-20-41(65)66)56-48(71)37(26-29(3)4)59-49(72)38(27-33-16-13-12-14-17-33)58-45(68)34(54)21-24-78-8/h12-14,16-17,29-32,34-40,42-43,64H,10-11,15,18-28,54H2,1-9H3,(H,55,69)(H,56,71)(H,57,74)(H,58,68)(H,59,72)(H,60,70)(H,61,67)(H,62,73)(H,65,66)(H,76,77)/t30-,31-,32-,34-,35-,36+,37-,38-,39+,40+,42-,43+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+5n/an/an/an/an/an/an/an/a



The Oxford Centre for Molecular Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition constant of the compound was tested against Chymotrypsinogen using the reporter substrate Suc-AAPA-pNa


Bioorg Med Chem Lett 10: 1219-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00194-3
BindingDB Entry DOI: 10.7270/Q2FQ9VTD
More data for this
Ligand-Target Pair