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BDBM50068899 3-(4-{[(S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-benzoic acid::CHEMBL170200

SMILES: CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=KRJZRSZIDUORFM-UWDVWBIHSA-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 = 50068899   
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))
BDBM50068899
PNG
(3-(4-{[(S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C35H36F2N4O7/c1-21(2)28(40-30(43)23-13-7-4-8-14-23)32(45)41-18-10-17-27(41)31(44)39-26(19-22-11-5-3-6-12-22)29(42)35(36,37)34(48)38-25-16-9-15-24(20-25)33(46)47/h3-9,11-16,20-21,26-28H,10,17-19H2,1-2H3,(H,38,48)(H,39,44)(H,40,43)(H,46,47)/t26?,27-,28-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10n/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))
BDBM50068899
PNG
(3-(4-{[(S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C35H36F2N4O7/c1-21(2)28(40-30(43)23-13-7-4-8-14-23)32(45)41-18-10-17-27(41)31(44)39-26(19-22-11-5-3-6-12-22)29(42)35(36,37)34(48)38-25-16-9-15-24(20-25)33(46)47/h3-9,11-16,20-21,26-28H,10,17-19H2,1-2H3,(H,38,48)(H,39,44)(H,40,43)(H,46,47)/t26?,27-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
275n/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