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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50089096   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))
BDBM50089096
PNG
(CHEMBL278549 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Met | e...)
Show SMILES CC[C@@H](C)[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(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C44H70N8O11S2/c1-8-26(4)36(43(61)52-20-12-15-34(52)42(60)48-31(44(62)63)19-22-65-7)51-37(55)27(5)46-39(57)30(16-17-35(53)54)47-40(58)32(23-25(2)3)50-41(59)33(24-28-13-10-9-11-14-28)49-38(56)29(45)18-21-64-6/h9-11,13-14,25-27,29-34,36H,8,12,15-24,45H2,1-7H3,(H,46,57)(H,47,58)(H,48,60)(H,49,56)(H,50,59)(H,51,55)(H,53,54)(H,62,63)/t26-,27-,29-,30-,31+,32-,33-,34+,36-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.70E+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 Human neutrophil elastase using the reporter substrate MeO-AAPV-pNa


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


BindingDB Entry DOI: 10.7270/Q2FQ9VTD
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50089096
PNG
(CHEMBL278549 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Met | e...)
Show SMILES CC[C@@H](C)[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(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C44H70N8O11S2/c1-8-26(4)36(43(61)52-20-12-15-34(52)42(60)48-31(44(62)63)19-22-65-7)51-37(55)27(5)46-39(57)30(16-17-35(53)54)47-40(58)32(23-25(2)3)50-41(59)33(24-28-13-10-9-11-14-28)49-38(56)29(45)18-21-64-6/h9-11,13-14,25-27,29-34,36H,8,12,15-24,45H2,1-7H3,(H,46,57)(H,47,58)(H,48,60)(H,49,56)(H,50,59)(H,51,55)(H,53,54)(H,62,63)/t26-,27-,29-,30-,31+,32-,33-,34+,36-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.30E+6n/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)


BindingDB Entry DOI: 10.7270/Q2FQ9VTD
More data for this
Ligand-Target Pair