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PubMed code 7608912

Compile data set for download or QSAR
Found 6 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
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50031686
PNG
(6-[3-(4-Benzhydrylidene-piperidin-1-yl)-propoxy]-4...)
Show SMILES [#8]-[#6](=O)-c1cc(=O)c2cc(-[#8]-[#6]-[#6]-[#6]-[#7]-3-[#6]-[#6]\[#6](-[#6]-[#6]-3)=[#6](\c3ccccc3)-c3ccccc3)ccc2o1
Show InChI InChI=1S/C31H29NO5/c33-27-21-29(31(34)35)37-28-13-12-25(20-26(27)28)36-19-7-16-32-17-14-24(15-18-32)30(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20-21H,7,14-19H2,(H,34,35)
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n/an/an/a 4.27E+3n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Dissociation constant was determined against Cysteinyl leukotriene D4 receptor of guinea pig lung membranes using radioligand binding assays.

J Med Chem 38: 2472-7 (1995)


BindingDB Entry DOI: 10.7270/Q2VT1R3G
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50006812
PNG
(7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydro...)
Show SMILES CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O
Show InChI InChI=1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33)
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n/an/an/a 1.12E+3n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Dissociation constant was determined against Cysteinyl leukotriene D4 receptor of guinea pig lung membranes using radioligand binding assays.

J Med Chem 38: 2472-7 (1995)


BindingDB Entry DOI: 10.7270/Q2VT1R3G
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50031679
PNG
(7-[3-(4-Benzhydrylidene-piperidin-1-yl)-propoxy]-2...)
Show SMILES O=c1cc(oc2cc(OCCCN3CCC(CC3)=C(c3ccccc3)c3ccccc3)ccc12)-c1nnn[nH]1 |(14.91,3.37,;14.91,1.83,;16.23,1.06,;16.23,-.47,;14.91,-1.24,;13.58,-.47,;12.25,-1.24,;10.92,-.47,;9.58,-1.24,;9.57,-2.78,;8.24,-3.55,;8.24,-5.1,;6.91,-5.87,;6.91,-7.41,;5.59,-8.18,;4.24,-7.41,;4.24,-5.87,;5.57,-5.1,;2.89,-8.18,;1.54,-7.41,;1.54,-5.87,;.22,-5.1,;-1.12,-5.87,;-1.12,-7.41,;.22,-8.18,;2.89,-9.73,;4.22,-10.5,;4.22,-12.04,;2.89,-12.81,;1.56,-12.04,;1.56,-10.5,;10.92,1.06,;12.25,1.83,;13.58,1.06,;17.58,-1.24,;18.96,-.57,;20.03,-1.68,;19.31,-3.03,;17.79,-2.78,)|
Show InChI InChI=1S/C31H29N5O3/c37-27-21-29(31-32-34-35-33-31)39-28-20-25(12-13-26(27)28)38-19-7-16-36-17-14-24(15-18-36)30(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20-21H,7,14-19H2,(H,32,33,34,35)
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n/an/an/a 2.34E+3n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Dissociation constant was determined against Cysteinyl leukotriene D4 receptor of guinea pig lung membranes using radioligand binding assays.

J Med Chem 38: 2472-7 (1995)


BindingDB Entry DOI: 10.7270/Q2VT1R3G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50017376
PNG
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
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n/an/an/a 35n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Dissociation constant was determined against H1 receptor of guinea pig lung membranes using radioligand binding assays.

J Med Chem 38: 2472-7 (1995)


BindingDB Entry DOI: 10.7270/Q2VT1R3G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50031679
PNG
(7-[3-(4-Benzhydrylidene-piperidin-1-yl)-propoxy]-2...)
Show SMILES O=c1cc(oc2cc(OCCCN3CCC(CC3)=C(c3ccccc3)c3ccccc3)ccc12)-c1nnn[nH]1 |(14.91,3.37,;14.91,1.83,;16.23,1.06,;16.23,-.47,;14.91,-1.24,;13.58,-.47,;12.25,-1.24,;10.92,-.47,;9.58,-1.24,;9.57,-2.78,;8.24,-3.55,;8.24,-5.1,;6.91,-5.87,;6.91,-7.41,;5.59,-8.18,;4.24,-7.41,;4.24,-5.87,;5.57,-5.1,;2.89,-8.18,;1.54,-7.41,;1.54,-5.87,;.22,-5.1,;-1.12,-5.87,;-1.12,-7.41,;.22,-8.18,;2.89,-9.73,;4.22,-10.5,;4.22,-12.04,;2.89,-12.81,;1.56,-12.04,;1.56,-10.5,;10.92,1.06,;12.25,1.83,;13.58,1.06,;17.58,-1.24,;18.96,-.57,;20.03,-1.68,;19.31,-3.03,;17.79,-2.78,)|
Show InChI InChI=1S/C31H29N5O3/c37-27-21-29(31-32-34-35-33-31)39-28-20-25(12-13-26(27)28)38-19-7-16-36-17-14-24(15-18-36)30(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20-21H,7,14-19H2,(H,32,33,34,35)
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n/an/an/a 5.90n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
dissociation constant was determined against H1 receptor of guinea pig lung membranes using radioligand binding assays.

J Med Chem 38: 2472-7 (1995)


BindingDB Entry DOI: 10.7270/Q2VT1R3G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50031686
PNG
(6-[3-(4-Benzhydrylidene-piperidin-1-yl)-propoxy]-4...)
Show SMILES [#8]-[#6](=O)-c1cc(=O)c2cc(-[#8]-[#6]-[#6]-[#6]-[#7]-3-[#6]-[#6]\[#6](-[#6]-[#6]-3)=[#6](\c3ccccc3)-c3ccccc3)ccc2o1
Show InChI InChI=1S/C31H29NO5/c33-27-21-29(31(34)35)37-28-13-12-25(20-26(27)28)36-19-7-16-32-17-14-24(15-18-32)30(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20-21H,7,14-19H2,(H,34,35)
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n/an/an/a 6n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Dissociation constant was determined against H1 receptor of guinea pig lung membranes using radioligand binding assays.

J Med Chem 38: 2472-7 (1995)


BindingDB Entry DOI: 10.7270/Q2VT1R3G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%