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Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'martin' and Initial = 'ka'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113783
PNG
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)
Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123737
PNG
(3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...)
Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the human Neuropeptide Y receptor type 5 was determined using [125I]- [PYY] as radioligand


J Med Chem 46: 670-3 (2003)


Article DOI: 10.1021/jm025584p
BindingDB Entry DOI: 10.7270/Q2V987DS
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM50123737
PNG
(3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...)
Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the rat Neuropeptide Y receptor type 5 was determined using [125I]- [Leu31,Pro34]PYY as radioligand


J Med Chem 46: 670-3 (2003)


Article DOI: 10.1021/jm025584p
BindingDB Entry DOI: 10.7270/Q2V987DS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113777
PNG
((4aS,10aR)-4a-benzyl-7-hydroxy-3,4,4a,9,10,10a-hex...)
Show SMILES Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H22O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12,17,22H,6-7,10-11,13-14H2/t17-,21+/m1/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218165
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218166
PNG
((R)-2-(2-(4-(oxazol-4-yl)phenoxy)ethylamino)-1-(py...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cocn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O3/c22-18(15-2-1-7-19-10-15)11-20-8-9-24-16-5-3-14(4-6-16)17-12-23-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218173
PNG
((R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamin...)
Show SMILES Cc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O3/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218170
PNG
((R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)...)
Show SMILES OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-12-19-22-17(13-26-19)14-3-5-16(6-4-14)25-9-8-21-11-18(24)15-2-1-7-20-10-15/h1-7,10,13,18,21,23-24H,8-9,11-12H2/t18-/m0/s1
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218168
PNG
((R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino...)
Show SMILES CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218180
PNG
((R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamin...)
Show SMILES CCc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O2S/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218167
PNG
((R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethyla...)
Show SMILES CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1
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49n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218177
PNG
((R)-2-(2-(4-(2-(benzyloxymethyl)oxazol-4-yl)phenox...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1coc(COCc2ccccc2)n1)c1cccnc1
Show InChI InChI=1S/C26H27N3O4/c30-25(22-7-4-12-27-15-22)16-28-13-14-32-23-10-8-21(9-11-23)24-18-33-26(29-24)19-31-17-20-5-2-1-3-6-20/h1-12,15,18,25,28,30H,13-14,16-17,19H2/t25-/m0/s1
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50n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50113778
PNG
((S)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:9|
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m1/s1
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54n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218176
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-4-yl)thia...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccncc1)c1cccnc1
Show InChI InChI=1S/C23H22N4O2S/c28-22(19-2-1-9-25-14-19)15-26-12-13-29-20-5-3-17(4-6-20)21-16-30-23(27-21)18-7-10-24-11-8-18/h1-11,14,16,22,26,28H,12-13,15H2/t22-/m0/s1
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97n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218182
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(2-(trifluoromethyl)t...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C19H18F3N3O2S/c20-19(21,22)18-25-16(12-28-18)13-3-5-15(6-4-13)27-9-8-24-11-17(26)14-2-1-7-23-10-14/h1-7,10,12,17,24,26H,8-9,11H2/t17-/m0/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218164
PNG
((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218185
PNG
((1R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-3-yl)thi...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H22N4O2S/c28-22(18-3-1-9-24-13-18)15-26-11-12-29-20-7-5-17(6-8-20)21-16-30-23(27-21)19-4-2-10-25-14-19/h1-10,13-14,16,22,26,28H,11-12,15H2/t22-/m0/s1
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120n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218164
PNG
((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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120n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50113783
PNG
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)
Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1
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130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218172
PNG
((R)-2-(2-(4-(2-cyclopentylthiazol-4-yl)phenoxy)eth...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C1CCCC1)c1cccnc1
Show InChI InChI=1S/C23H27N3O2S/c27-22(19-6-3-11-24-14-19)15-25-12-13-28-20-9-7-17(8-10-20)21-16-29-23(26-21)18-4-1-2-5-18/h3,6-11,14,16,18,22,25,27H,1-2,4-5,12-13,15H2/t22-/m0/s1
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130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218165
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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140n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218174
PNG
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
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150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113781
PNG
((R)-4a-Benzyl-7-hydroxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES Oc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:8|
Show InChI InChI=1S/C21H20O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12-13,22H,6-7,10-11,14H2/t21-/m0/s1
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157n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218181
PNG
((R)-2-(2-(4-(5-methyloxazol-4-yl)phenoxy)ethylamin...)
Show SMILES Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O3/c1-14-19(22-13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3/t18-/m0/s1
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170n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50113781
PNG
((R)-4a-Benzyl-7-hydroxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES Oc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:8|
Show InChI InChI=1S/C21H20O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12-13,22H,6-7,10-11,14H2/t21-/m0/s1
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180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218166
PNG
((R)-2-(2-(4-(oxazol-4-yl)phenoxy)ethylamino)-1-(py...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cocn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O3/c22-18(15-2-1-7-19-10-15)11-20-8-9-24-16-5-3-14(4-6-16)17-12-23-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218171
PNG
((R)-2-(2-(4-(2-(methoxymethyl)oxazol-4-yl)phenoxy)...)
Show SMILES COCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O4/c1-25-14-20-23-18(13-27-20)15-4-6-17(7-5-15)26-10-9-22-12-19(24)16-3-2-8-21-11-16/h2-8,11,13,19,22,24H,9-10,12,14H2,1H3/t19-/m0/s1
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210n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218170
PNG
((R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)...)
Show SMILES OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O4/c23-12-19-22-17(13-26-19)14-3-5-16(6-4-14)25-9-8-21-11-18(24)15-2-1-7-20-10-15/h1-7,10,13,18,21,23-24H,8-9,11-12H2/t18-/m0/s1
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270n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218167
PNG
((R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethyla...)
Show SMILES CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1
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360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218168
PNG
((R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino...)
Show SMILES CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1
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400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218173
PNG
((R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamin...)
Show SMILES Cc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O3/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218174
PNG
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
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500n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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650n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50113776
PNG
((R)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:9|
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m0/s1
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690n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50113777
PNG
((4aS,10aR)-4a-benzyl-7-hydroxy-3,4,4a,9,10,10a-hex...)
Show SMILES Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C21H22O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12,17,22H,6-7,10-11,13-14H2/t17-,21+/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218179
PNG
((R)-2-(2-(4-(2,5-dimethyloxazol-4-yl)phenoxy)ethyl...)
Show SMILES Cc1nc(c(C)o1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-14-20(23-15(2)26-14)16-5-7-18(8-6-16)25-11-10-22-13-19(24)17-4-3-9-21-12-17/h3-9,12,19,22,24H,10-11,13H2,1-2H3/t19-/m0/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50113778
PNG
((S)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:9|
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human ER beta


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50113776
PNG
((R)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:9|
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50113781
PNG
((R)-4a-Benzyl-7-hydroxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES Oc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:8|
Show InChI InChI=1S/C21H20O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12-13,22H,6-7,10-11,14H2/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human ER beta


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50113783
PNG
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)
Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Progesterone receptor


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50113782
PNG
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Estrogen receptor alpha


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50113778
PNG
((S)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-ph...)
Show SMILES COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:9|
Show InChI InChI=1S/C22H22O2/c1-24-20-9-10-21-17(13-20)7-8-18-14-19(23)11-12-22(18,21)15-16-5-3-2-4-6-16/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human Estrogen receptor alpha


J Med Chem 45: 2417-24 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2Q1F
More data for this
Ligand-Target Pair
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