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SMILES: NC12CC[C@@]3(OC1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2

InChI Key: InChIKey=CNWWHUKTYPEEDU-BFRJHAQASA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 364549   
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
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM364549
PNG
((4bR,6S,8aS,9R)-6-amino-11- (cyclopropylmethyl)-5,...)
Show SMILES NC12CC[C@@]3(OC1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2 |r,TLB:20:19:4:15.9.8|
Show InChI InChI=1S/C21H28N2O2/c22-19-5-6-21(25-13-19)18-9-15-3-4-16(24)10-17(15)20(21,12-19)7-8-23(18)11-14-1-2-14/h3-4,10,14,18,24H,1-2,5-9,11-13,22H2/t18-,19?,20-,21-/m1/s1
PDB

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UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
 0.0960n/an/an/an/an/an/an/an/a



GNF



Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...

J Med Chem 50: 4255-9 (2007)


BindingDB Entry DOI: 10.7270/Q2222X2R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM364549
PNG
((4bR,6S,8aS,9R)-6-amino-11- (cyclopropylmethyl)-5,...)
Show SMILES NC12CC[C@@]3(OC1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2 |r,TLB:20:19:4:15.9.8|
Show InChI InChI=1S/C21H28N2O2/c22-19-5-6-21(25-13-19)18-9-15-3-4-16(24)10-17(15)20(21,12-19)7-8-23(18)11-14-1-2-14/h3-4,10,14,18,24H,1-2,5-9,11-13,22H2/t18-,19?,20-,21-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 0.790n/an/an/an/an/an/an/an/a



GNF



Assay Description
Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...

J Med Chem 50: 4255-9 (2007)


BindingDB Entry DOI: 10.7270/Q2222X2R
More data for this
Ligand-Target Pair