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SMILES: CC(C)=CCCC1(C)Oc2c(C)cc3c([nH]c4ccccc34)c2C=C1

InChI Key: InChIKey=HTNVFUBCWIYPJN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50207385   
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
Pancreatic triacylglycerol lipase


(Homo sapiens (Human))		BDBM50207385
PNG
(CHEBI:6646 | Mahanimbine | Rel-(+)-Mahanimbine)
Show SMILES CC(C)=CCCC1(C)Oc2c(C)cc3c([nH]c4ccccc34)c2C=C1 |c:26,(11.36,-24.12,;9.81,-24.12,;9.04,-25.45,;9.04,-22.78,;7.5,-22.77,;6.74,-21.43,;5.19,-21.43,;5.96,-20.08,;3.86,-20.66,;2.52,-21.44,;1.19,-20.67,;1.19,-19.13,;-.14,-21.44,;-.14,-22.98,;1.2,-23.74,;.88,-25.25,;-.65,-25.41,;-1.57,-26.66,;-3.11,-26.49,;-3.73,-25.09,;-2.81,-23.84,;-1.28,-24,;2.52,-22.97,;3.86,-23.73,;5.18,-22.96,)|
Show InChI InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3
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Article
PubMed
n/an/a 1.79E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase (unknown origin)

Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
More data for this
Ligand-Target Pair