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BDBM50382409 AMAUROMINE

SMILES: CC(C)(C=C)[C@@]12C[C@@H]3N([C@@H]1Nc1ccccc21)C(=O)[C@@H]1C[C@@]2([C@@H](Nc4ccccc24)N1C3=O)C(C)(C)C=C

InChI Key: InChIKey=VKEAHNPKYMHYJJ-CBYNOBLXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50382409   
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
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50382409
PNG
(AMAUROMINE)
Show SMILES CC(C)(C=C)[C@@]12C[C@@H]3N([C@@H]1Nc1ccccc21)C(=O)[C@@H]1C[C@@]2([C@@H](Nc4ccccc24)N1C3=O)C(C)(C)C=C |r|
Show InChI InChI=1S/C32H36N4O2/c1-7-29(3,4)31-17-23-25(37)36-24(26(38)35(23)27(31)33-21-15-11-9-13-19(21)31)18-32(30(5,6)8-2)20-14-10-12-16-22(20)34-28(32)36/h7-16,23-24,27-28,33-34H,1-2,17-18H2,3-6H3/t23-,24-,27-,28-,31+,32+/m0/s1
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Article
PubMed
 178n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting

ACS Med Chem Lett 2: 866-869 (2011)


Article DOI: 10.1021/ml200183z
BindingDB Entry DOI: 10.7270/Q2PC33CX
More data for this
Ligand-Target Pair