BindingDB logo
myBDB logout

BDBM50068898 CHEMBL415755::{1-[2-(1-Benzyl-3,3,3-trifluoro-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester

SMILES: CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=RQBJCPKLQFRGBI-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50068898   
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))
BDBM50068898
PNG
(CHEMBL415755 | {1-[2-(1-Benzyl-3,3,3-trifluoro-2-o...)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O5/c1-15(2)19(30-23(35)36-24(3,4)5)22(34)31-13-9-12-18(31)21(33)29-17(20(32)25(26,27)28)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,9,12-14H2,1-5H3,(H,29,33)(H,30,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
55.8n/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)


Citation and Details
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50068898
PNG
(CHEMBL415755 | {1-[2-(1-Benzyl-3,3,3-trifluoro-2-o...)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O5/c1-15(2)19(30-23(35)36-24(3,4)5)22(34)31-13-9-12-18(31)21(33)29-17(20(32)25(26,27)28)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,9,12-14H2,1-5H3,(H,29,33)(H,30,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
113n/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


Citation and Details
More data for this
Ligand-Target Pair