Found 417 hits with Last Name = 'minick' and Initial = 'd' 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 |
|---|
Transporter
(Rattus norvegicus (rat)) | BDBM50308250
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [N-methyl-3H]nisoxetine from rat hippocampus NET by filtration binding assay |
J Med Chem 53: 2534-51 (2010)
Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(MOUSE) | BDBM50308250
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.851 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from mouse cortex SERT by filtration binding assay |
J Med Chem 53: 2534-51 (2010)
Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50308250
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of histamine H1 receptor |
J Med Chem 53: 2534-51 (2010)
Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50308250
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
from Dfrom ifrom sfrom pfrom lfrom afrom cfrom efrom mfrom efrom nfrom tfrom from ofrom ffrom from [from 3from Hfrom ]from dfrom ofrom ffrom efrom tf... |
J Med Chem 53: 2534-51 (2010)
Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50036918
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h1-4,7-10H,5-6,11-16H2 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue. |
J Med Chem 39: 149-57 (1996)
Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50048817
(2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-he...)Show SMILES O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue. |
J Med Chem 39: 149-57 (1996)
Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
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| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414623
(CHEMBL394168)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34) | PDB
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UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50048818
(2-[5-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pe...)Show SMILES O=C1N(CCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C24H26N4O2S/c29-23-18-8-2-3-9-19(18)24(30)28(23)13-7-1-6-12-26-14-16-27(17-15-26)22-20-10-4-5-11-21(20)31-25-22/h2-5,8-11H,1,6-7,12-17H2 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue. |
J Med Chem 39: 149-57 (1996)
Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50048815
(2-[5-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pe...)Show SMILES O=C1N(CCCCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12 Show InChI InChI=1S/C24H28N4OS/c29-24-20-9-3-2-8-19(20)18-28(24)13-7-1-6-12-26-14-16-27(17-15-26)23-21-10-4-5-11-22(21)30-25-23/h2-5,8-11H,1,6-7,12-18H2 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue. |
J Med Chem 39: 149-57 (1996)
Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423192
(CHEMBL237973)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H28F4N4O2/c1-2-24(13-5-7-17-6-3-4-8-21(17)24)15-25(36,26(28,29)30)16-32-23(35)20-14-33-34(22(20)31)19-11-9-18(27)10-12-19/h3-4,6,8-12,14,36H,2,5,7,13,15-16,31H2,1H3,(H,32,35) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423192
(CHEMBL237973)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H28F4N4O2/c1-2-24(13-5-7-17-6-3-4-8-21(17)24)15-25(36,26(28,29)30)16-32-23(35)20-14-33-34(22(20)31)19-11-9-18(27)10-12-19/h3-4,6,8-12,14,36H,2,5,7,13,15-16,31H2,1H3,(H,32,35) | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423195
(CHEMBL393011)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36) | PDB
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.47 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423195
(CHEMBL393011)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36) | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.47 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423195
(CHEMBL393011)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36) | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50048816
(2-[(E)-4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl...)Show SMILES O=C1N(C\C=C\CN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H22N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h1-10H,11-16H2/b6-5+ | PDB
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Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue. |
J Med Chem 39: 149-57 (1996)
Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423195
(CHEMBL393011)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423191
(CHEMBL234988)Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423191
(CHEMBL234988)Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34) | PDB
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| n/a | n/a | 4.79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294706
(4-((2-chlorobenzyl)(3-methyl-1-(1-methyl-1H-tetraz...)Show SMILES CC(C)CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C Show InChI InChI=1S/C21H22Cl2N6/c1-14(2)10-20(21-25-26-27-28(21)3)29(13-16-6-4-5-7-18(16)22)17-9-8-15(12-24)19(23)11-17/h4-9,11,14,20H,10,13H2,1-3H3 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423194
(CHEMBL236947)Show SMILES CC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C25H27F3N4O2/c1-23(13-7-9-17-8-5-6-12-20(17)23)15-24(34,25(26,27)28)16-30-22(33)19-14-31-32(21(19)29)18-10-3-2-4-11-18/h2-6,8,10-12,14,34H,7,9,13,15-16,29H2,1H3,(H,30,33) | PDB
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| n/a | n/a | 5.13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423194
(CHEMBL236947)Show SMILES CC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C25H27F3N4O2/c1-23(13-7-9-17-8-5-6-12-20(17)23)15-24(34,25(26,27)28)16-30-22(33)19-14-31-32(21(19)29)18-10-3-2-4-11-18/h2-6,8,10-12,14,34H,7,9,13,15-16,29H2,1H3,(H,30,33) | PDB
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| n/a | n/a | 5.13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423194
(CHEMBL236947)Show SMILES CC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C25H27F3N4O2/c1-23(13-7-9-17-8-5-6-12-20(17)23)15-24(34,25(26,27)28)16-30-22(33)19-14-31-32(21(19)29)18-10-3-2-4-11-18/h2-6,8,10-12,14,34H,7,9,13,15-16,29H2,1H3,(H,30,33) | PDB
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| n/a | n/a | 5.89 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423194
(CHEMBL236947)Show SMILES CC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C25H27F3N4O2/c1-23(13-7-9-17-8-5-6-12-20(17)23)15-24(34,25(26,27)28)16-30-22(33)19-14-31-32(21(19)29)18-10-3-2-4-11-18/h2-6,8,10-12,14,34H,7,9,13,15-16,29H2,1H3,(H,30,33) | PDB
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| n/a | n/a | 5.89 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423193
(CHEMBL235208)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C24H25F5N4O3/c1-22(2,18-10-15(26)6-9-19(18)36-3)12-23(35,24(27,28)29)13-31-21(34)17-11-32-33(20(17)30)16-7-4-14(25)5-8-16/h4-11,35H,12-13,30H2,1-3H3,(H,31,34) | PDB
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| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423193
(CHEMBL235208)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C24H25F5N4O3/c1-22(2,18-10-15(26)6-9-19(18)36-3)12-23(35,24(27,28)29)13-31-21(34)17-11-32-33(20(17)30)16-7-4-14(25)5-8-16/h4-11,35H,12-13,30H2,1-3H3,(H,31,34) | PDB
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| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18627
((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 | PDB
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| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50036922
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12 Show InChI InChI=1S/C23H26N4OS/c28-23-19-8-2-1-7-18(19)17-27(23)12-6-5-11-25-13-15-26(16-14-25)22-20-9-3-4-10-21(20)29-24-22/h1-4,7-10H,5-6,11-17H2 | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue. |
J Med Chem 39: 149-57 (1996)
Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414623
(CHEMBL394168)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34) | PDB
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| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
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| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50048821
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-cy...)Show SMILES O=C1N(Cc2ccccc12)C1CCC(CC1)N1CCN(CC1)c1nsc2ccccc12 |(5.61,-11.3,;4.82,-12.63,;5.59,-14.05,;4.24,-15.07,;2.92,-14.27,;1.45,-14.71,;.31,-13.66,;.68,-12.16,;2.14,-11.71,;3.27,-12.75,;7.09,-14.4,;7.25,-15.93,;9.06,-16.06,;9.97,-16.91,;9.8,-15.39,;8.07,-15.29,;11.46,-17.3,;11.44,-15.77,;12.79,-15,;14.12,-15.77,;14.11,-17.31,;12.79,-18.08,;15.46,-15,;15.63,-13.48,;17.12,-13.15,;17.89,-14.5,;19.39,-14.81,;19.87,-16.27,;18.85,-17.42,;17.33,-17.1,;16.87,-15.63,)| Show InChI InChI=1S/C25H28N4OS/c30-25-21-6-2-1-5-18(21)17-29(25)20-11-9-19(10-12-20)27-13-15-28(16-14-27)24-22-7-3-4-8-23(22)31-26-24/h1-8,19-20H,9-17H2 | PDB
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| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-raclopride binding at Dopamine receptor D2 from rat striata. |
J Med Chem 39: 149-57 (1996)
Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483163
(CHEMBL1630067)Show InChI InChI=1S/C18H16N4O3S/c1-11-15(12(2)24-18(23)19-13-7-4-3-5-8-13)25-17-20-16(21-22(11)17)14-9-6-10-26-14/h3-10,12H,1-2H3,(H,19,23) | PDB
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120
BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50048817
(2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-he...)Show SMILES O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2 | PDB
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| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-raclopride binding at Dopamine receptor D2 from rat striata. |
J Med Chem 39: 149-57 (1996)
Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423189
(CHEMBL392319)Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33) | PDB
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| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423189
(CHEMBL392319)Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33) | PDB
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| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423192
(CHEMBL237973)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H28F4N4O2/c1-2-24(13-5-7-17-6-3-4-8-21(17)24)15-25(36,26(28,29)30)16-32-23(35)20-14-33-34(22(20)31)19-11-9-18(27)10-12-19/h3-4,6,8-12,14,36H,2,5,7,13,15-16,31H2,1H3,(H,32,35) | PDB
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| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423192
(CHEMBL237973)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H28F4N4O2/c1-2-24(13-5-7-17-6-3-4-8-21(17)24)15-25(36,26(28,29)30)16-32-23(35)20-14-33-34(22(20)31)19-11-9-18(27)10-12-19/h3-4,6,8-12,14,36H,2,5,7,13,15-16,31H2,1H3,(H,32,35) | PDB
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| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483151
(CHEMBL1630068)Show SMILES CC(OC(=O)Nc1ccccc1)c1oc2nc(nn2c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C20H17FN4O3/c1-12-17(13(2)27-20(26)22-16-6-4-3-5-7-16)28-19-23-18(24-25(12)19)14-8-10-15(21)11-9-14/h3-11,13H,1-2H3,(H,22,26) | PDB
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| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120
BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483149
(CHEMBL1630065)Show InChI InChI=1S/C14H13ClN4O3/c1-8-11(22-13-17-12(15)18-19(8)13)9(2)21-14(20)16-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,16,20) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120
BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18627
((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 | PDB
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PDB
Article
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexametha... |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50048814
(2-[3-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pr...)Show SMILES O=C1N(CCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C22H22N4O2S/c27-21-16-6-1-2-7-17(16)22(28)26(21)11-5-10-24-12-14-25(15-13-24)20-18-8-3-4-9-19(18)29-23-20/h1-4,6-9H,5,10-15H2 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue. |
J Med Chem 39: 149-57 (1996)
Article DOI: 10.1021/jm9502201
BindingDB Entry DOI: 10.7270/Q2TQ60MN |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483150
(CHEMBL1630066)Show InChI InChI=1S/C17H18N4O3/c1-10-14(24-16-19-15(12-8-9-12)20-21(10)16)11(2)23-17(22)18-13-6-4-3-5-7-13/h3-7,11-12H,8-9H2,1-2H3,(H,18,22) | PDB
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| Article
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120
BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483155
(CHEMBL1630076)Show InChI InChI=1S/C15H15N3O2S/c1-10-13(21-14-16-8-9-18(10)14)11(2)20-15(19)17-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120
BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294705
(4-((2-chlorobenzyl)(1-(1-methyl-1H-tetrazol-5-yl)p...)Show SMILES CCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C Show InChI InChI=1S/C19H18Cl2N6/c1-3-18(19-23-24-25-26(19)2)27(12-14-6-4-5-7-16(14)20)15-9-8-13(11-22)17(21)10-15/h4-10,18H,3,12H2,1-2H3 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294715
(4-((2-chlorobenzyl)(1-(4-methyl-4H-1,2,4-triazol-3...)Show SMILES CCCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C Show InChI InChI=1S/C21H21Cl2N5/c1-3-6-20(21-26-25-14-27(21)2)28(13-16-7-4-5-8-18(16)22)17-10-9-15(12-24)19(23)11-17/h4-5,7-11,14,20H,3,6,13H2,1-2H3 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294703
(4-((2-chlorobenzyl)(1-(4-methyl-4H-1,2,4-triazol-3...)Show SMILES CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C Show InChI InChI=1S/C19H17Cl2N5/c1-13(19-24-23-12-25(19)2)26(11-15-5-3-4-6-17(15)20)16-8-7-14(10-22)18(21)9-16/h3-9,12-13H,11H2,1-2H3 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294696
(4-((2-chlorobenzyl)(1-(2-methylthiazol-4-yl)ethyl)...)Show SMILES CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1csc(C)n1 Show InChI InChI=1S/C20H17Cl2N3S/c1-13(20-12-26-14(2)24-20)25(11-16-5-3-4-6-18(16)21)17-8-7-15(10-23)19(22)9-17/h3-9,12-13H,11H2,1-2H3 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294702
(4-((2-chlorobenzyl)(1-(1-methyl-1H-tetrazol-5-yl)e...)Show SMILES CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C Show InChI InChI=1S/C18H16Cl2N6/c1-12(18-22-23-24-25(18)2)26(11-14-5-3-4-6-16(14)19)15-8-7-13(10-21)17(20)9-15/h3-9,12H,11H2,1-2H3 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423191
(CHEMBL234988)Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34) | PDB
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| n/a | n/a | 13.2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423191
(CHEMBL234988)Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34) | PDB
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| n/a | n/a | 13.2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
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