Found 10 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.354 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50471710
(CHEMBL317748)Show SMILES [H][C@@]1(CCc2cc(O)ccc2[C@]1([H])c1ccc(OCCN2CCCC2)cc1)c1ccccc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28-/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM20606
((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...)Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50471711
(CHEMBL98892)Show SMILES Oc1ccc2C=C(C(Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 |c:5| Show InChI InChI=1S/C27H27NO3/c29-23-11-8-22-18-25(20-6-2-1-3-7-20)27(31-26(22)19-23)21-9-12-24(13-10-21)30-17-16-28-14-4-5-15-28/h1-3,6-13,18-19,27,29H,4-5,14-17H2 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM20606
((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...)Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 | PDB
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MCE
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PC sid
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| PDB
Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50065941
(1-{2-[4-(6-Methoxy-2-phenyl-3,4-dihydro-naphthalen...)Show SMILES COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:6| Show InChI InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50471707
(CHEMBL98116)Show SMILES Oc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:5| Show InChI InChI=1S/C28H29NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,30H,4-5,10,14,16-19H2 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50471709
(CHEMBL421389)Show SMILES COc1ccc2C(C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C29H33NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21,27,29H,5-6,11,15,17-20H2,1H3 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM50471708
(CHEMBL100303)Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
Article DOI: 10.1021/jm980048b
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this
Ligand-Target Pair | |
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