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PubMed code 3033248

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50367061
PNG
(NALORPHINE | NALORPHINE HYDROCHLORIDE)
Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17|
Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
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 2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound administered subcutaneously was evaluated for inhibition constant measured as the displacement of [3H]DAGO from rat brain

J Med Chem 30: 947-50 (1987)


BindingDB Entry DOI: 10.7270/Q2TD9XXW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021778
PNG
(3-(1,4a-Dimethyl-2,4a,5,6,7,7a-hexahydro-1H-[1]pyr...)
Show SMILES CN1CC=C(c2cccc(O)c2)[C@@]2(C)CCC[C@@H]12 |t:3|
Show InChI InChI=1S/C16H21NO/c1-16-9-4-7-15(16)17(2)10-8-14(16)12-5-3-6-13(18)11-12/h3,5-6,8,11,15,18H,4,7,9-10H2,1-2H3/t15-,16-/m1/s1
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 81n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound administered subcutaneously was evaluated for inhibition constant measured as the displacement of [3H]DAGO from rat brain

J Med Chem 30: 947-50 (1987)


BindingDB Entry DOI: 10.7270/Q2TD9XXW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021779
PNG
(3-(4a-Ethyl-1-methyl-2,4a,5,6,7,7a-hexahydro-1H-[1...)
Show SMILES CC[C@]12CCC[C@H]1N(C)CC=C2c1cccc(O)c1 |c:11|
Show InChI InChI=1S/C17H23NO/c1-3-17-10-5-8-16(17)18(2)11-9-15(17)13-6-4-7-14(19)12-13/h4,6-7,9,12,16,19H,3,5,8,10-11H2,1-2H3/t16-,17-/m1/s1
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 84n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound administered subcutaneously was evaluated for inhibition constant measured as the displacement of [3H]DAGO from rat brain

J Med Chem 30: 947-50 (1987)


BindingDB Entry DOI: 10.7270/Q2TD9XXW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%