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BDBM50068909 3-(2,2-Difluoro-4-{[(S)-1-((S)-2-methanesulfonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-3-oxo-5-phenyl-pentanoylamino)-benzoic acid::CHEMBL171801

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

InChI Key: InChIKey=XRJYMPKANIKEBH-KXNJDZORSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50068909   
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))
BDBM50068909
PNG
(3-(2,2-Difluoro-4-{[(S)-1-((S)-2-methanesulfonylam...)
Show SMILES CC(C)[C@H](NS(C)(=O)=O)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/C29H34F2N4O8S/c1-17(2)23(34-44(3,42)43)26(38)35-14-8-13-22(35)25(37)33-21(15-18-9-5-4-6-10-18)24(36)29(30,31)28(41)32-20-12-7-11-19(16-20)27(39)40/h4-7,9-12,16-17,21-23,34H,8,13-15H2,1-3H3,(H,32,41)(H,33,37)(H,39,40)/t21?,22-,23-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/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))
BDBM50068909
PNG
(3-(2,2-Difluoro-4-{[(S)-1-((S)-2-methanesulfonylam...)
Show SMILES CC(C)[C@H](NS(C)(=O)=O)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/C29H34F2N4O8S/c1-17(2)23(34-44(3,42)43)26(38)35-14-8-13-22(35)25(37)33-21(15-18-9-5-4-6-10-18)24(36)29(30,31)28(41)32-20-12-7-11-19(16-20)27(39)40/h4-7,9-12,16-17,21-23,34H,8,13-15H2,1-3H3,(H,32,41)(H,33,37)(H,39,40)/t21?,22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
207n/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