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BDBM50006113 (BAG)2-Benzyl-N-[1-(carbamoylmethyl-carbamoyl)-ethyl]-3-mercapto-propionamide::CHEMBL46225

SMILES: C[C@H](NC(=O)C(CS)Cc1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=AUJQAKJLNYFOHT-NUHJPDEHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006113   
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
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50006113
PNG
((BAG)2-Benzyl-N-[1-(carbamoylmethyl-carbamoyl)-eth...)
Show SMILES C[C@H](NC(=O)C(CS)Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H21N3O3S/c1-10(14(20)17-8-13(16)19)18-15(21)12(9-22)7-11-5-3-2-4-6-11/h2-6,10,12,22H,7-9H2,1H3,(H2,16,19)(H,17,20)(H,18,21)/t10-,12?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
750n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair