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SMILES: CCOCc1cccc(N[C@H]2CC[C@@H](CC2)C(=O)N(C)c2ccc(CN3CCN[C@@H](C)C3)c(C)c2)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 = 50599735   
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
Motilin receptor


(Homo sapiens (Human))		BDBM50599735
PNG
(CHEMBL5192584)
Show SMILES CCOCc1cccc(N[C@H]2CC[C@@H](CC2)C(=O)N(C)c2ccc(CN3CCN[C@@H](C)C3)c(C)c2)c1 |r,wU:13.16,29.30,wD:10.9,(8.67,3.47,;7.33,2.7,;6,3.47,;4.67,2.7,;3.33,3.47,;3.33,5,;2,5.77,;.66,5.01,;.66,3.47,;-.67,2.7,;-.67,1.16,;-2,.39,;-2,-1.15,;-.67,-1.92,;.66,-1.15,;.66,.39,;-.67,-3.46,;.66,-4.23,;-2,-4.23,;-2,-5.77,;-3.34,-3.46,;-3.34,-1.92,;-4.67,-1.15,;-6,-1.92,;-7.33,-1.15,;-7.33,.39,;-8.67,1.16,;-8.67,2.7,;-7.33,3.47,;-6,2.7,;-4.67,3.47,;-6,1.16,;-6,-3.47,;-7.33,-4.24,;-4.66,-4.23,;2,2.69,)|
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PC cid
PC sid
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n/an/an/an/a 2.60n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128554
BindingDB Entry DOI: 10.7270/Q2Q81J37
More data for this
Ligand-Target Pair