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BDBM50068913 5-{(S)-2-[1-Benzyl-3-(3-carbamoyl-phenylcarbamoyl)-3,3-difluoro-2-oxo-propylcarbamoyl]-pyrrolidin-1-yl}-4-tert-butoxycarbonylamino-5-oxo-pentanoic acid::CHEMBL366721

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

InChI Key: InChIKey=YWNVTKMAKISVGC-VHYCJAOWSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50068913   
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))
BDBM50068913
PNG
(5-{(S)-2-[1-Benzyl-3-(3-carbamoyl-phenylcarbamoyl)...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C33H39F2N5O9/c1-32(2,3)49-31(48)39-22(14-15-25(41)42)29(46)40-16-8-13-24(40)28(45)38-23(17-19-9-5-4-6-10-19)26(43)33(34,35)30(47)37-21-12-7-11-20(18-21)27(36)44/h4-7,9-12,18,22-24H,8,13-17H2,1-3H3,(H2,36,44)(H,37,47)(H,38,45)(H,39,48)(H,41,42)/t22?,23?,24-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/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: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50068913
PNG
(5-{(S)-2-[1-Benzyl-3-(3-carbamoyl-phenylcarbamoyl)...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C33H39F2N5O9/c1-32(2,3)49-31(48)39-22(14-15-25(41)42)29(46)40-16-8-13-24(40)28(45)38-23(17-19-9-5-4-6-10-19)26(43)33(34,35)30(47)37-21-12-7-11-20(18-21)27(36)44/h4-7,9-12,18,22-24H,8,13-17H2,1-3H3,(H2,36,44)(H,37,47)(H,38,45)(H,39,48)(H,41,42)/t22?,23?,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.22E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Bovine Chymotrypsinogen


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair