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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Snake venom metalloproteinase Bap1' and Ligand = 'BDBM50420345'   
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
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420345
PNG
(CHEMBL2089171)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NO |r|
Show InChI InChI=1S/C24H32N4O5/c1-15(2)12-20(26-22(30)19(25)13-16-6-4-3-5-7-16)23(31)27-21(24(32)28-33)14-17-8-10-18(29)11-9-17/h3-11,15,19-21,29,33H,12-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t19-,20-,21-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.09E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair