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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50068888'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymase


(Homo sapiens (Human))
BDBM50068888
PNG
(CHEMBL170074 | {(S)-1-[(S)-2-(1-Benzyl-3-benzylcar...)
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)NCc1ccccc1
Show InChI InChI=1S/C33H42F2N4O6/c1-21(2)26(38-31(44)45-32(3,4)5)29(42)39-18-12-17-25(39)28(41)37-24(19-22-13-8-6-9-14-22)27(40)33(34,35)30(43)36-20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26H,12,17-20H2,1-5H3,(H,36,43)(H,37,41)(H,38,44)/t24?,25-,26-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
7.40n/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
Chymase


(Homo sapiens (Human))
BDBM50068888
PNG
(CHEMBL170074 | {(S)-1-[(S)-2-(1-Benzyl-3-benzylcar...)
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)NCc1ccccc1
Show InChI InChI=1S/C33H42F2N4O6/c1-21(2)26(38-31(44)45-32(3,4)5)29(42)39-18-12-17-25(39)28(41)37-24(19-22-13-8-6-9-14-22)27(40)33(34,35)30(43)36-20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26H,12,17-20H2,1-5H3,(H,36,43)(H,37,41)(H,38,44)/t24?,25-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
92n/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