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SMILES: C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=CJFCROIOTXWTIJ-XTELBDPVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50226285   
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
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50226285
PNG
(CHEMBL171089)
Show SMILES C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:46:37:44:41.40.42,36:37:39.40.44:42,36:37:44:41.40.42,THB:46:41:37.45.38:44,38:37:39.40.44:42,38:39:37.45.46:42|
Show InChI InChI=1S/C35H47N5O6S/c1-47(46)12-11-29(38-32(43)28(36)16-23-7-9-27(41)10-8-23)34(45)39-30(17-22-5-3-2-4-6-22)33(44)37-21-31(42)40-35-18-24-13-25(19-35)15-26(14-24)20-35/h2-10,24-26,28-30,41H,11-21,36H2,1H3,(H,37,44)(H,38,43)(H,39,45)(H,40,42)/t24?,25?,26?,28-,29+,30-,35?,47?/m0/s1
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PubMed
n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum

J Med Chem 29: 889-94 (1986)


BindingDB Entry DOI: 10.7270/Q2959KSW
More data for this
Ligand-Target Pair