BindingDB logo
myBDB logout

BDBM50068905 (4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-acetic acid benzyl ester::CHEMBL172873

SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(=O)OCc1ccccc1

InChI Key: InChIKey=IBPZVDLKMJYZON-KKGVWULHSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50068905   
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
Chymase


(Homo sapiens (Human))
BDBM50068905
PNG
((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C35H44F2N4O8/c1-22(2)28(40-33(47)49-34(3,4)5)31(45)41-18-12-17-26(41)30(44)39-25(19-23-13-8-6-9-14-23)29(43)35(36,37)32(46)38-20-27(42)48-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-26,28H,12,17-21H2,1-5H3,(H,38,46)(H,39,44)(H,40,47)/t25?,26-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)


Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50068905
PNG
((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C35H44F2N4O8/c1-22(2)28(40-33(47)49-34(3,4)5)31(45)41-18-12-17-26(41)30(44)39-25(19-23-13-8-6-9-14-23)29(43)35(36,37)32(46)38-20-27(42)48-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-26,28H,12,17-21H2,1-5H3,(H,38,46)(H,39,44)(H,40,47)/t25?,26-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
316n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen


Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair