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PubMed code 15324897

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
Delta-type opioid receptor


(MOUSE)		BDBM50151753
PNG
(1N-[6-carbamoyl-9-(4-nitrobenzyl)-8,11,14-trioxo-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C28H35N7O8S2/c1-14-7-18(36)8-15(2)19(14)10-20(29)26(39)34-23-13-45-44-12-22(25(30)38)33-28(41)21(32-24(37)11-31-27(23)40)9-16-3-5-17(6-4-16)35(42)43/h3-8,20-23,36H,9-13,29H2,1-2H3,(H2,30,38)(H,31,40)(H,32,37)(H,33,41)(H,34,39)/t20-,21-,22+,23-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibitory concentration against Delta opioid receptor of mouse vas deferens

Bioorg Med Chem Lett 14: 4731-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.077
BindingDB Entry DOI: 10.7270/Q2610ZR8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50151753
PNG
(1N-[6-carbamoyl-9-(4-nitrobenzyl)-8,11,14-trioxo-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C28H35N7O8S2/c1-14-7-18(36)8-15(2)19(14)10-20(29)26(39)34-23-13-45-44-12-22(25(30)38)33-28(41)21(32-24(37)11-31-27(23)40)9-16-3-5-17(6-4-16)35(42)43/h3-8,20-23,36H,9-13,29H2,1-2H3,(H2,30,38)(H,31,40)(H,32,37)(H,33,41)(H,34,39)/t20-,21-,22+,23-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.540n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibitory concentration against Kappa opioid receptor of guinea pig ileum

Bioorg Med Chem Lett 14: 4731-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.077
BindingDB Entry DOI: 10.7270/Q2610ZR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50151753
PNG
(1N-[6-carbamoyl-9-(4-nitrobenzyl)-8,11,14-trioxo-(...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C28H35N7O8S2/c1-14-7-18(36)8-15(2)19(14)10-20(29)26(39)34-23-13-45-44-12-22(25(30)38)33-28(41)21(32-24(37)11-31-27(23)40)9-16-3-5-17(6-4-16)35(42)43/h3-8,20-23,36H,9-13,29H2,1-2H3,(H2,30,38)(H,31,40)(H,32,37)(H,33,41)(H,34,39)/t20-,21-,22+,23-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.540n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mu opioid receptor of guinea pig ileum

Bioorg Med Chem Lett 14: 4731-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.077
BindingDB Entry DOI: 10.7270/Q2610ZR8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%