Found 63 hits with Last Name = 'fisher' and Initial = 'je' 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 |
|---|
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092512
(2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3 |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134778
((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...)Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092511
(3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...)Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3 |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092511
(3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...)Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134777
((S)-3-(2,3-Dihydro-benzofuran-6-yl)-3-{2-oxo-3-[3-...)Show SMILES OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C25H30N4O4/c30-23(31)16-21(19-6-5-17-9-14-33-22(17)15-19)29-13-12-28(25(29)32)11-2-4-20-8-7-18-3-1-10-26-24(18)27-20/h5-8,15,21H,1-4,9-14,16H2,(H,26,27)(H,30,31)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134780
((S)-3-{2-Oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthy...)Show SMILES OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C22H27N5O3/c28-20(29)14-19(17-5-1-9-23-15-17)27-13-12-26(22(27)30)11-3-6-18-8-7-16-4-2-10-24-21(16)25-18/h1,5,7-9,15,19H,2-4,6,10-14H2,(H,24,25)(H,28,29)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092512
(2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162799
((2R,3R,4S)-2-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-5-f...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H34FNO4/c1-20-27(21-6-10-23(33)11-7-21)30(36-26-15-14-25(34)29(31)28(20)26)22-8-12-24(13-9-22)35-19-18-32-16-4-2-3-5-17-32/h6-15,20,27,30,33-34H,2-5,16-19H2,1H3/t20-,27+,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134776
((S)-3-(3-Fluoro-4-methoxy-phenyl)-3-{2-oxo-3-[3-(5...)Show SMILES COc1ccc(cc1F)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C24H29FN4O4/c1-33-21-9-7-17(14-19(21)25)20(15-22(30)31)29-13-12-28(24(29)32)11-3-5-18-8-6-16-4-2-10-26-23(16)27-18/h6-9,14,20H,2-5,10-13,15H2,1H3,(H,26,27)(H,30,31)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134779
((S)-3-{3-[3-(7-Hydroxy-5,6,7,8-tetrahydro-[1,8]nap...)Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCC(O)Nc3n2)C1=O Show InChI InChI=1S/C23H29N5O5/c1-33-20-9-6-16(14-24-20)18(13-21(30)31)28-12-11-27(23(28)32)10-2-3-17-7-4-15-5-8-19(29)26-22(15)25-17/h4,6-7,9,14,18-19,29H,2-3,5,8,10-13H2,1H3,(H,25,26)(H,30,31)/t18-,19?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092509
((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...)Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092509
((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...)Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3 |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162804
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCCC1 Show InChI InChI=1S/C29H32FNO4/c1-18(31-15-3-4-16-31)17-34-23-11-7-21(8-12-23)29-26(20-5-9-22(32)10-6-20)19(2)27-25(35-29)14-13-24(33)28(27)30/h5-14,18-19,26,29,32-33H,3-4,15-17H2,1-2H3/t18-,19-,26+,29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162794
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28-,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092508
(2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1 |t:16| Show InChI InChI=1S/C22H27N5O6S/c28-20(26-15-19(21(29)30)27-34(31,32)18-5-2-1-3-6-18)16-7-9-17(10-8-16)33-14-13-25-22-23-11-4-12-24-22/h1-3,5-10,19,27H,4,11-15H2,(H,26,28)(H,29,30)(H2,23,24,25)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162807
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCC[C@H]1C Show InChI InChI=1S/C30H34FNO4/c1-18-5-4-16-32(18)19(2)17-35-24-12-8-22(9-13-24)30-27(21-6-10-23(33)11-7-21)20(3)28-26(36-30)15-14-25(34)29(28)31/h6-15,18-20,27,30,33-34H,4-5,16-17H2,1-3H3/t18-,19+,20+,27-,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162812
((2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H32FNO4/c1-19-26(20-5-9-22(32)10-6-20)29(35-25-14-13-24(33)28(30)27(19)25)21-7-11-23(12-8-21)34-18-17-31-15-3-2-4-16-31/h5-14,19,26,29,32-33H,2-4,15-18H2,1H3/t19-,26+,29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162801
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H32FNO4/c1-18-13-14-31(17-18)15-16-34-23-9-5-21(6-10-23)29-26(20-3-7-22(32)8-4-20)19(2)27-25(35-29)12-11-24(33)28(27)30/h3-12,18-19,26,29,32-33H,13-17H2,1-2H3/t18-,19-,26+,29-/m0/s1 | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50144849
((2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3...)Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1 | PDB
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Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162809
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H32FNO4/c1-18-13-14-31(17-18)15-16-34-23-9-5-21(6-10-23)29-26(20-3-7-22(32)8-4-20)19(2)27-25(35-29)12-11-24(33)28(27)30/h3-12,18-19,26,29,32-33H,13-17H2,1-2H3/t18-,19+,26-,29+/m1/s1 | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162805
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C28H30FNO4/c1-18-25(19-4-8-21(31)9-5-19)28(34-24-13-12-23(32)27(29)26(18)24)20-6-10-22(11-7-20)33-17-16-30-14-2-3-15-30/h4-13,18,25,28,31-32H,2-3,14-17H2,1H3/t18-,25+,28-/m0/s1 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162796
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C30H34FNO4/c1-18-14-15-32(16-18)19(2)17-35-24-10-6-22(7-11-24)30-27(21-4-8-23(33)9-5-21)20(3)28-26(36-30)13-12-25(34)29(28)31/h4-13,18-20,27,30,33-34H,14-17H2,1-3H3/t18-,19+,20+,27-,30+/m1/s1 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092508
(2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1 |t:16| Show InChI InChI=1S/C22H27N5O6S/c28-20(26-15-19(21(29)30)27-34(31,32)18-5-2-1-3-6-18)16-7-9-17(10-8-16)33-14-13-25-22-23-11-4-12-24-22/h1-3,5-10,19,27H,4,11-15H2,(H,26,28)(H,29,30)(H2,23,24,25)/t19-/m0/s1 | PDB
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| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3 |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | 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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Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162806
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[(S)...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C30H35NO4/c1-19-14-15-31(17-19)20(2)18-34-26-11-6-23(7-12-26)30-29(22-4-8-24(32)9-5-22)21(3)27-16-25(33)10-13-28(27)35-30/h4-13,16,19-21,29-30,32-33H,14-15,17-18H2,1-3H3/t19-,20+,21-,29-,30+/m1/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | 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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Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162811
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[2-(...)Show SMILES C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H33NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-17-24(32)9-12-27(26)34-29/h3-12,17,19-20,28-29,31-32H,13-16,18H2,1-2H3/t19-,20+,28+,29-/m0/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162802
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-19-24(32)11-14-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28-,29+/m1/s1 | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162800
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-((S)...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCCC1 Show InChI InChI=1S/C29H33NO4/c1-19(30-15-3-4-16-30)18-33-25-12-7-22(8-13-25)29-28(21-5-9-23(31)10-6-21)20(2)26-17-24(32)11-14-27(26)34-29/h5-14,17,19-20,28-29,31-32H,3-4,15-16,18H2,1-2H3/t19-,20+,28+,29-/m0/s1 | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162803
((2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PY...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C28H31NO4/c1-19-25-18-23(31)10-13-26(25)33-28(27(19)20-4-8-22(30)9-5-20)21-6-11-24(12-7-21)32-17-16-29-14-2-3-15-29/h4-13,18-19,27-28,30-31H,2-3,14-17H2,1H3/t19-,27-,28+/m1/s1 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092510
(2-Benzenesulfonylamino-3-[4-(2-guanidino-ethoxy)-b...)Show SMILES NC(=N)NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H23N5O6S/c20-19(21)22-10-11-30-14-8-6-13(7-9-14)17(25)23-12-16(18(26)27)24-31(28,29)15-4-2-1-3-5-15/h1-9,16,24H,10-12H2,(H,23,25)(H,26,27)(H4,20,21,22)/t16-/m0/s1 | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162813
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[2-(...)Show SMILES C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H33NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-17-24(32)9-12-27(26)34-29/h3-12,17,19-20,28-29,31-32H,13-16,18H2,1-2H3/t19-,20-,28-,29+/m1/s1 | PDB
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| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162795
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@H](C)C1 Show InChI InChI=1S/C30H34FNO4/c1-18-14-15-32(16-18)19(2)17-35-24-10-6-22(7-11-24)30-27(21-4-8-23(33)9-5-21)20(3)28-26(36-30)13-12-25(34)29(28)31/h4-13,18-20,27,30,33-34H,14-17H2,1-3H3/t18-,19-,20-,27+,30-/m0/s1 | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134775
((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-oxo-3...)Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCC(=O)c2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H27N5O5/c1-33-20-7-5-16(14-25-20)18(13-21(30)31)28-12-11-27(23(28)32)10-8-19(29)17-6-4-15-3-2-9-24-22(15)26-17/h4-7,14,18H,2-3,8-13H2,1H3,(H,24,26)(H,30,31)/t18-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162807
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCC[C@H]1C Show InChI InChI=1S/C30H34FNO4/c1-18-5-4-16-32(18)19(2)17-35-24-12-8-22(9-13-24)30-27(21-6-10-23(33)11-7-21)20(3)28-26(36-30)15-14-25(34)29(28)31/h6-15,18-20,27,30,33-34H,4-5,16-17H2,1-3H3/t18-,19+,20+,27-,30+/m1/s1 | PDB
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| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162800
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-((S)...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCCC1 Show InChI InChI=1S/C29H33NO4/c1-19(30-15-3-4-16-30)18-33-25-12-7-22(8-13-25)29-28(21-5-9-23(31)10-6-21)20(2)26-17-24(32)11-14-27(26)34-29/h5-14,17,19-20,28-29,31-32H,3-4,15-16,18H2,1-2H3/t19-,20+,28+,29-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092510
(2-Benzenesulfonylamino-3-[4-(2-guanidino-ethoxy)-b...)Show SMILES NC(=N)NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H23N5O6S/c20-19(21)22-10-11-30-14-8-6-13(7-9-14)17(25)23-12-16(18(26)27)24-31(28,29)15-4-2-1-3-5-15/h1-9,16,24H,10-12H2,(H,23,25)(H,26,27)(H4,20,21,22)/t16-/m0/s1 | PDB
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antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3 |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162805
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C28H30FNO4/c1-18-25(19-4-8-21(31)9-5-19)28(34-24-13-12-23(32)27(29)26(18)24)20-6-10-22(11-7-20)33-17-16-30-14-2-3-15-30/h4-13,18,25,28,31-32H,2-3,14-17H2,1H3/t18-,25+,28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162803
((2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PY...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C28H31NO4/c1-19-25-18-23(31)10-13-26(25)33-28(27(19)20-4-8-22(30)9-5-20)21-6-11-24(12-7-21)32-17-16-29-14-2-3-15-29/h4-13,18-19,27-28,30-31H,2-3,14-17H2,1H3/t19-,27-,28+/m1/s1 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162794
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28-,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50162808
((2R,3R,4S)-4-Ethyl-3-(4-hydroxy-phenyl)-2-[4-(2-pi...)Show SMILES CC[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H35NO4/c1-2-26-27-20-24(33)12-15-28(27)35-30(29(26)21-6-10-23(32)11-7-21)22-8-13-25(14-9-22)34-19-18-31-16-4-3-5-17-31/h6-15,20,26,29-30,32-33H,2-5,16-19H2,1H3/t26-,29+,30+/m1/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor alpha |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162813
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[2-(...)Show SMILES C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H33NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-17-24(32)9-12-27(26)34-29/h3-12,17,19-20,28-29,31-32H,13-16,18H2,1-2H3/t19-,20-,28-,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162801
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H32FNO4/c1-18-13-14-31(17-18)15-16-34-23-9-5-21(6-10-23)29-26(20-3-7-22(32)8-4-20)19(2)27-25(35-29)12-11-24(33)28(27)30/h3-12,18-19,26,29,32-33H,13-17H2,1-2H3/t18-,19-,26+,29-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162799
((2R,3R,4S)-2-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-5-f...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H34FNO4/c1-20-27(21-6-10-23(33)11-7-21)30(36-26-15-14-25(34)29(31)28(20)26)22-8-12-24(13-9-22)35-19-18-32-16-4-2-3-5-17-32/h6-15,20,27,30,33-34H,2-5,16-19H2,1H3/t20-,27+,30-/m0/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162812
((2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2...)Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H32FNO4/c1-19-26(20-5-9-22(32)10-6-20)29(35-25-14-13-24(33)28(30)27(19)25)21-7-11-23(12-8-21)34-18-17-31-15-3-2-4-16-31/h5-14,19,26,29,32-33H,2-4,15-18H2,1H3/t19-,26+,29-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162811
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[2-(...)Show SMILES C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H33NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-17-24(32)9-12-27(26)34-29/h3-12,17,19-20,28-29,31-32H,13-16,18H2,1-2H3/t19-,20+,28+,29-/m0/s1 | PDB
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162795
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@H](C)C1 Show InChI InChI=1S/C30H34FNO4/c1-18-14-15-32(16-18)19(2)17-35-24-10-6-22(7-11-24)30-27(21-4-8-23(33)9-5-21)20(3)28-26(36-30)13-12-25(34)29(28)31/h4-13,18-20,27,30,33-34H,14-17H2,1-3H3/t18-,19-,20-,27+,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162806
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-{4-[(S)...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C30H35NO4/c1-19-14-15-31(17-19)20(2)18-34-26-11-6-23(7-12-26)30-29(22-4-8-24(32)9-5-22)21(3)27-16-25(33)10-13-28(27)35-30/h4-13,16,19-21,29-30,32-33H,14-15,17-18H2,1-3H3/t19-,20+,21-,29-,30+/m1/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162809
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C29H32FNO4/c1-18-13-14-31(17-18)15-16-34-23-9-5-21(6-10-23)29-26(20-3-7-22(32)8-4-20)19(2)27-25(35-29)12-11-24(33)28(27)30/h3-12,18-19,26,29,32-33H,13-17H2,1-2H3/t18-,19+,26-,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50162796
((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C30H34FNO4/c1-18-14-15-32(16-18)19(2)17-35-24-10-6-22(7-11-24)30-27(21-4-8-23(33)9-5-21)20(3)28-26(36-30)13-12-25(34)29(28)31/h4-13,18-20,27,30,33-34H,14-17H2,1-3H3/t18-,19+,20+,27-,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this
Ligand-Target Pair | |
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