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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50133886   
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))		BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12 |r|
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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PC cid
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Article
PubMed
n/an/an/an/a 2.60n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in C6 cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation counting...

J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12 |r|
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 97n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation co...

J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair