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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rhizopuspepsin' and Ligand = 'BDBM50070006'   
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
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50070006
PNG
(((Z)-(3R,6R,15R)-15-Hydroxymethyl-3-isopropyl-2,5-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](CCC\C=C/CCC[C@H](CO)NC1=O)NC(=O)OC(C)(C)C |c:11|
Show InChI InChI=1S/C22H39N3O5/c1-15(2)18-20(28)23-16(14-26)12-10-8-6-7-9-11-13-17(19(27)25-18)24-21(29)30-22(3,4)5/h6-7,15-18,26H,8-14H2,1-5H3,(H,23,28)(H,24,29)(H,25,27)/b7-6-/t16-,17-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
336n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligan...


Bioorg Med Chem Lett 8: 357-60 (1999)


BindingDB Entry DOI: 10.7270/Q2N58KH1
More data for this
Ligand-Target Pair