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SMILES: Brc1ccc(N[C@@H]2CC[C@H]3CN(C[C@@H]23)C(=O)C2CC3CCC2CC3)nn1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 645019   
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
Monoacylglycerol lipase ABHD6 [33-337]


(Homo sapiens (Human))		BDBM645019
PNG
(US20240010658, Example 2-14)
Show SMILES Brc1ccc(N[C@@H]2CC[C@H]3CN(C[C@@H]23)C(=O)C2CC3CCC2CC3)nn1 |r,wU:9.9,13.12,wD:6.5,(8.14,-1.27,;6.68,-.8,;6.36,.71,;4.89,1.18,;3.75,.15,;2.28,.63,;1.14,-.4,;1.3,-1.93,;-.11,-2.56,;-1.14,-1.41,;-2.65,-1.09,;-2.81,.44,;-1.4,1.06,;-.37,-.08,;-4.14,1.21,;-4.14,2.75,;-5.47,.44,;-6.81,1.21,;-8.14,.44,;-8.14,-1.1,;-6.81,-1.87,;-5.47,-1.1,;-6.28,.19,;-7.37,-.9,;4.07,-1.35,;5.53,-1.83,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair