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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'huchet' and Initial = 'm'   
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
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223720
PNG
(CHEMBL332257)
Show SMILES CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H34N2/c1-3-5-8-14-24(15-9-6-4-2)26-27-20-25(28-26)23-18-16-22(17-19-23)21-12-10-7-11-13-21/h7,10-13,16-20,24H,3-6,8-9,14-15H2,1-2H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223731
PNG
(CHEMBL118603)
Show SMILES CCCCCCc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H24N2/c1-2-3-4-8-11-21-22-16-20(23-21)19-14-12-18(13-15-19)17-9-6-5-7-10-17/h5-7,9-10,12-16H,2-4,8,11H2,1H3,(H,22,23)
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n/an/a 16n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223721
PNG
(CHEMBL331513)
Show SMILES C(CC1CCCCC1)Cc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H28N2/c1-3-8-19(9-4-1)10-7-13-24-25-18-23(26-24)22-16-14-21(15-17-22)20-11-5-2-6-12-20/h2,5-6,11-12,14-19H,1,3-4,7-10,13H2,(H,25,26)
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n/an/a 19n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223726
PNG
(CHEMBL117331)
Show SMILES CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H29FN2/c1-3-5-7-9-17(10-8-6-4-2)20-22-15-19(23-20)16-11-13-18(21)14-12-16/h11-15,17H,3-10H2,1-2H3,(H,22,23)
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n/an/a 25n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223735
PNG
(CHEMBL119139)
Show SMILES C(Cc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C23H26N2/c1-3-7-18(8-4-1)11-16-23-24-17-22(25-23)21-14-12-20(13-15-21)19-9-5-2-6-10-19/h2,5-6,9-10,12-15,17-18H,1,3-4,7-8,11,16H2,(H,24,25)
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n/an/a 26n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50237104
PNG
(2-((8R,9S,13S,14S,16R)-2-ethyl-3-hydroxy-13-methyl...)
Show SMILES CCc1cc2[C@H]3CC[C@@]4(C)[C@@H](C[C@H](CC(=O)NCc5cccnc5)C4=O)[C@@H]3CCc2cc1O |r|
Show InChI InChI=1S/C28H34N2O3/c1-3-18-11-23-19(13-25(18)31)6-7-22-21(23)8-9-28(2)24(22)12-20(27(28)33)14-26(32)30-16-17-5-4-10-29-15-17/h4-5,10-11,13,15,20-22,24,31H,3,6-9,12,14,16H2,1-2H3,(H,30,32)/t20-,21+,22-,24+,28+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223734
PNG
(CHEMBL331942)
Show SMILES CCCCCCc1nc(c[nH]1)-c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C19H28N2/c1-4-5-6-7-8-19-20-14-18(21-19)17-11-9-16(10-12-17)13-15(2)3/h9-12,14-15H,4-8,13H2,1-3H3,(H,20,21)
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n/an/a 28n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223733
PNG
(CHEMBL120306)
Show SMILES CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H30N2/c1-6-8-16(9-7-2)19-21-14-18(22-19)15-10-12-17(13-11-15)20(3,4)5/h10-14,16H,6-9H2,1-5H3,(H,21,22)
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n/an/a 30n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223722
PNG
(CHEMBL334104)
Show SMILES C(C1CCCCC1)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H24N2/c1-3-7-17(8-4-1)15-22-23-16-21(24-22)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h2,5-6,9-14,16-17H,1,3-4,7-8,15H2,(H,23,24)
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n/an/a 70n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223723
PNG
(CHEMBL119494)
Show SMILES CCCCCC(CCCCC)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H30N2/c1-3-5-8-14-18(15-9-6-4-2)20-21-16-19(22-20)17-12-10-7-11-13-17/h7,10-13,16,18H,3-6,8-9,14-15H2,1-2H3,(H,21,22)
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n/an/a 86n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223725
PNG
(CHEMBL118682)
Show SMILES CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H26N2/c1-3-8-20(9-4-2)22-23-16-21(24-22)19-14-12-18(13-15-19)17-10-6-5-7-11-17/h5-7,10-16,20H,3-4,8-9H2,1-2H3,(H,23,24)
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n/an/a 100n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223729
PNG
(CHEMBL418863)
Show SMILES Fc1ccc(cc1)-c1c[nH]c(CC2CCCCC2)n1
Show InChI InChI=1S/C16H19FN2/c17-14-8-6-13(7-9-14)15-11-18-16(19-15)10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H,18,19)
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n/an/a 146n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223732
PNG
(CHEMBL118626)
Show SMILES CCCC(CCC)c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H25BrN2/c1-3-5-19(6-4-2)22-24-15-21(25-22)18-9-7-16(8-10-18)17-11-13-20(23)14-12-17/h7-15,19H,3-6H2,1-2H3,(H,24,25)
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n/an/a 322n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223728
PNG
(CHEMBL119103)
Show SMILES CCCC(CCC)c1nc(c[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H21FN2/c1-3-5-13(6-4-2)16-18-11-15(19-16)12-7-9-14(17)10-8-12/h7-11,13H,3-6H2,1-2H3,(H,18,19)
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n/an/a 518n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223730
PNG
(CHEMBL3037819)
Show SMILES C1[C@@H](N[C@@H](c2[nH]c3ccccc3c12)c1ccccc1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H22N4/c1-3-9-17(10-4-1)23-16-27-26(30-23)22-15-20-19-13-7-8-14-21(19)28-25(20)24(29-22)18-11-5-2-6-12-18/h1-14,16,22,24,28-29H,15H2,(H,27,30)/t22-,24-/m1/s1
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n/an/a 1.46E+3n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50223727
PNG
(CHEMBL330800)
Show SMILES Cc1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-12-17-11-16(18-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376293
PNG
(CHEMBL408487)
Show SMILES Oc1ccc(cc1)-c1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C15H12O2/c16-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(14)17/h1-3,5-7,9,16H,4,8H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376289
PNG
(CHEMBL410224)
Show SMILES CCc1cc(ccc1O)-c1ccc(cc1)C(=O)CC(C)(C)C(=O)NCc1cccnc1
Show InChI InChI=1S/C26H28N2O3/c1-4-19-14-22(11-12-23(19)29)20-7-9-21(10-8-20)24(30)15-26(2,3)25(31)28-17-18-6-5-13-27-16-18/h5-14,16,29H,4,15,17H2,1-3H3,(H,28,31)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376292
PNG
(CHEMBL259000)
Show SMILES CCc1cc(ccc1O)-c1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C17H16O2/c1-2-11-9-13(4-7-16(11)18)12-3-6-15-14(10-12)5-8-17(15)19/h3-4,6-7,9-10,18H,2,5,8H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376298
PNG
(CHEMBL408485)
Show SMILES Oc1ccc(cc1F)-c1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C15H11FO2/c16-13-8-10(2-6-15(13)18)9-1-4-12-11(7-9)3-5-14(12)17/h1-2,4,6-8,18H,3,5H2
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376297
PNG
(CHEMBL408594)
Show SMILES CCc1cc(ccc1O)-c1ccc(cc1)C(=O)CCC(=O)NCc1cccnc1
Show InChI InChI=1S/C24H24N2O3/c1-2-18-14-21(9-10-22(18)27)19-5-7-20(8-6-19)23(28)11-12-24(29)26-16-17-4-3-13-25-15-17/h3-10,13-15,27H,2,11-12,16H2,1H3,(H,26,29)
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376295
PNG
(CHEMBL260518)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(O)cc1C
Show InChI InChI=1S/C15H14O2/c1-10-9-14(17)7-8-15(10)13-5-3-12(4-6-13)11(2)16/h3-9,17H,1-2H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376287
PNG
(CHEMBL261578)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C14H12O2/c1-10(15)11-2-4-12(5-3-11)13-6-8-14(16)9-7-13/h2-9,16H,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376288
PNG
(CHEMBL260227)
Show SMILES CCc1cc(ccc1O)-c1ccc2C(=O)C(CC(=O)NCc3cccnc3)Cc2c1
Show InChI InChI=1S/C25H24N2O3/c1-2-17-10-19(6-8-23(17)28)18-5-7-22-20(11-18)12-21(25(22)30)13-24(29)27-15-16-4-3-9-26-14-16/h3-11,14,21,28H,2,12-13,15H2,1H3,(H,27,29)
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376286
PNG
(CHEMBL260234)
Show SMILES CC(=O)c1ccc-2c(Cc3cc(O)ccc-23)c1
Show InChI InChI=1S/C15H12O2/c1-9(16)10-2-4-14-11(6-10)7-12-8-13(17)3-5-15(12)14/h2-6,8,17H,7H2,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376296
PNG
(CHEMBL260075)
Show SMILES CCc1cc(ccc1O)-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C16H16O2/c1-3-12-10-15(8-9-16(12)18)14-6-4-13(5-7-14)11(2)17/h4-10,18H,3H2,1-2H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376290
PNG
(CHEMBL259815)
Show SMILES CCc1cc(ccc1OC)-c1ccc2C(=O)CCCc2c1
Show InChI InChI=1S/C19H20O2/c1-3-13-11-15(8-10-19(13)21-2)14-7-9-17-16(12-14)5-4-6-18(17)20/h7-12H,3-6H2,1-2H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376294
PNG
(CHEMBL407865)
Show SMILES CCc1cc(ccc1C(C)=O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H16O2/c1-3-12-10-14(6-9-16(12)11(2)17)13-4-7-15(18)8-5-13/h4-10,18H,3H2,1-2H3
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n/an/a 9.90E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50376291
PNG
(CHEMBL259814)
Show SMILES Oc1ccc(cc1)-c1ccc2C(=O)CCCc2c1
Show InChI InChI=1S/C16H14O2/c17-14-7-4-11(5-8-14)12-6-9-15-13(10-12)2-1-3-16(15)18/h4-10,17H,1-3H2
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n/an/a 1.56E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins

Bioorg Med Chem 16: 4438-56 (2008)


Article DOI: 10.1016/j.bmc.2008.02.059
BindingDB Entry DOI: 10.7270/Q20002Z0
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50017662
PNG
(2-(Diethylamino)-2',6'-acetoxylidide | 2-(Diethyla...)
Show SMILES CCN(CC)CC(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)		BDBM50003659
PNG
(5H-dibenzo[b,f]azepine-5-carboxamide | CARBAMAZEPI...)
Show SMILES NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
Show InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
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n/an/a 1.67E+5n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain

Bioorg Med Chem Lett 14: 3521-3 (2004)


BindingDB Entry DOI: 10.7270/Q2474D2N
More data for this
Ligand-Target Pair