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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50120295   
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))
BDBM50120295
PNG
(CHEMBL324207 | Peptide Boronic Acid analogue)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)C(C)(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C47H73BN6O11/c1-25(2)38(52-41(60)31(18-20-36(55)56)50-40(59)30(49)24-37(57)58)43(62)53-39(26(3)4)44(63)54-21-11-12-32(54)42(61)51-35(19-15-27-13-16-28(17-14-27)45(5,6)7)48-64-34-23-29-22-33(46(29,8)9)47(34,10)65-48/h13-14,16-17,25-26,29-35,38-39H,11-12,15,18-24,49H2,1-10H3,(H,50,59)(H,51,61)(H,52,60)(H,53,62)(H,55,56)(H,57,58)/t29-,30-,31-,32+,33-,34+,35-,38-,39-,47-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 340n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human leukocyte Elastase


Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))
BDBM50120295
PNG
(CHEMBL324207 | Peptide Boronic Acid analogue)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)C(C)(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C47H73BN6O11/c1-25(2)38(52-41(60)31(18-20-36(55)56)50-40(59)30(49)24-37(57)58)43(62)53-39(26(3)4)44(63)54-21-11-12-32(54)42(61)51-35(19-15-27-13-16-28(17-14-27)45(5,6)7)48-64-34-23-29-22-33(46(29,8)9)47(34,10)65-48/h13-14,16-17,25-26,29-35,38-39H,11-12,15,18-24,49H2,1-10H3,(H,50,59)(H,51,61)(H,52,60)(H,53,62)(H,55,56)(H,57,58)/t29-,30-,31-,32+,33-,34+,35-,38-,39-,47-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Human pancreatic Chymotrypsin


Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair