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SMILES: C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cccc(CCO)c2)CCN1

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 = 50599736   
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))		BDBM50599736
PNG
(CHEMBL5196982)
Show SMILES C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cccc(CCO)c2)CCN1 |r,wU:16.16,1.0,wD:19.23,(-4,3.47,;-5.33,2.7,;-5.33,1.16,;-6.67,.39,;-6.67,-1.15,;-5.33,-1.92,;-4,-1.15,;-2.67,-1.92,;-2.67,-3.46,;-3.99,-4.23,;-5.33,-3.47,;-6.67,-4.24,;-1.34,-4.23,;-1.34,-5.77,;-0,-3.46,;1.33,-4.23,;-0,-1.92,;-1.34,-1.15,;-1.34,.39,;-0,1.16,;1.33,.39,;1.33,-1.15,;-0,2.7,;1.33,3.47,;1.33,5.01,;2.66,5.77,;4,5,;4,3.47,;5.33,2.7,;6.67,3.47,;8,2.7,;2.67,2.69,;-8,1.16,;-8,2.7,;-6.67,3.47,)|
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PC cid
PC sid
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n/an/an/an/a 4.70n/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