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SMILES: CC(C)c1cccc(c1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1

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 = 581646   
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
Monoglyceride lipase


(Homo sapiens (Human))		BDBM581646
PNG
((rac)-(2s,4s)-2-(6-(3-Isopropylphenyl)-2-azaspiro[...)
Show SMILES CC(C)c1cccc(c1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:18.19,wD:20.22,(9.48,-2.44,;7.95,-2.55,;7.28,-3.94,;7.08,-1.28,;7.75,.11,;6.88,1.38,;5.35,1.27,;4.68,-.12,;5.54,-1.39,;3.14,-.23,;2.24,-1.48,;.77,-1,;.77,.54,;-.72,.14,;-1.11,1.63,;.37,2.03,;-2.45,2.4,;-2.45,3.94,;-3.78,1.63,;-4.18,.14,;-5.67,.54,;-5.27,2.03,;-5.59,-1,;-7.03,-1.55,;-7.99,-.35,;-9.48,-.22,;-7.16,.94,;2.24,1.01,)|
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.170n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair