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BDBM50281589 5N-(1-benzyl-3,3,3-trifluoro-2-oxopropyl)-1-[3-methyl-2-{4-[2-methyl-1-[5-(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxobutylcarbamoyl)-(5S)-dihydro-1H-1-pyrrolylcarbonyl]-(1S)-propylcarbamoyl]phenylcarboxamido}-(2R)-butanoyl]-(5R)-dihydro-1::CHEMBL422675

SMILES: CC(C)[C@@H](NC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=UMFSHTVFFBFIBV-ZUQTVKEASA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50281589   
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))
BDBM50281589
PNG
(5N-(1-benzyl-3,3,3-trifluoro-2-oxopropyl)-1-[3-met...)
Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C45H54F8N6O8/c1-23(2)32(36(61)43(46,47)45(51,52)53)55-40(65)31-15-11-21-59(31)42(67)34(25(5)6)57-38(63)28-18-16-27(17-19-28)37(62)56-33(24(3)4)41(66)58-20-10-14-30(58)39(64)54-29(35(60)44(48,49)50)22-26-12-8-7-9-13-26/h7-9,12-13,16-19,23-25,29-34H,10-11,14-15,20-22H2,1-6H3,(H,54,64)(H,55,65)(H,56,62)(H,57,63)/t29?,30-,31+,32?,33-,34+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
15.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its potency to inhibit human neutrophil elastase activity


Bioorg Med Chem Lett 3: 525-530 (1993)

More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50281589
PNG
(5N-(1-benzyl-3,3,3-trifluoro-2-oxopropyl)-1-[3-met...)
Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C45H54F8N6O8/c1-23(2)32(36(61)43(46,47)45(51,52)53)55-40(65)31-15-11-21-59(31)42(67)34(25(5)6)57-38(63)28-18-16-27(17-19-28)37(62)56-33(24(3)4)41(66)58-20-10-14-30(58)39(64)54-29(35(60)44(48,49)50)22-26-12-8-7-9-13-26/h7-9,12-13,16-19,23-25,29-34H,10-11,14-15,20-22H2,1-6H3,(H,54,64)(H,55,65)(H,56,62)(H,57,63)/t29?,30-,31+,32?,33-,34+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its potency to inhibit human Cathepsin G


Bioorg Med Chem Lett 3: 525-530 (1993)

More data for this
Ligand-Target Pair