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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aquaporin-1' and Ligand = 'BDBM50089038'   
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
Aquaporin-1


(Homo sapiens (Human))		BDBM50089038
PNG
(CGP 71683 | CGP-71683A | CHEMBL17645 | N-{[(1r,4r)...)
Show SMILES Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:6.5,wD:9.9,(2.92,.42,;2.94,-1.13,;4.28,-1.89,;4.29,-3.44,;5.63,-4.22,;6.96,-3.45,;8.29,-4.21,;9.63,-3.44,;10.96,-4.22,;10.95,-5.76,;12.28,-6.54,;13.77,-6.13,;14.86,-7.21,;13.98,-8.47,;15.7,-5.91,;16.12,-8.05,;17.24,-7,;18.73,-7.45,;19.09,-8.94,;17.97,-9.99,;18.33,-11.48,;17.22,-12.56,;15.73,-12.11,;15.38,-10.62,;16.49,-9.56,;9.62,-6.51,;8.29,-5.75,;2.95,-4.23,;1.61,-3.45,;.26,-4.23,;-1.07,-3.46,;-1.07,-1.9,;.26,-1.13,;1.61,-1.9,)|
Show InChI InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)/t18-,19-
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Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research Institute



Assay Description
Osmotic water permeability was measured at 22-24 °C bymonitoring 90° scattered light intensity at 520 nm wavelength. Measurements were made using a P...

Chem Biol Drug Des 87: 794-805 (2016)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q2GQ6WHZ
More data for this
Ligand-Target Pair