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BDBM50068908 CHEMBL352917::{(S)-1-[(S)-2-(1-Benzyl-3,3-difluoro-2-oxo-3-phenylcarbamoyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester

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)Nc1ccccc1

InChI Key: InChIKey=PAWIHPFXDRGRSR-DJHGOXGWSA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50068908   
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))
BDBM50068908
PNG
(CHEMBL352917 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...)
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)Nc1ccccc1
Show InChI InChI=1S/C32H40F2N4O6/c1-20(2)25(37-30(43)44-31(3,4)5)28(41)38-18-12-17-24(38)27(40)36-23(19-21-13-8-6-9-14-21)26(39)32(33,34)29(42)35-22-15-10-7-11-16-22/h6-11,13-16,20,23-25H,12,17-19H2,1-5H3,(H,35,42)(H,36,40)(H,37,43)/t23?,24-,25-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/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))
BDBM50068908
PNG
(CHEMBL352917 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...)
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)Nc1ccccc1
Show InChI InChI=1S/C32H40F2N4O6/c1-20(2)25(37-30(43)44-31(3,4)5)28(41)38-18-12-17-24(38)27(40)36-23(19-21-13-8-6-9-14-21)26(39)32(33,34)29(42)35-22-15-10-7-11-16-22/h6-11,13-16,20,23-25H,12,17-19H2,1-5H3,(H,35,42)(H,36,40)(H,37,43)/t23?,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/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