Found 7 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 5 group A member 2' and Ligand = 'BDBM50418303' 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 |
Nuclear receptor subfamily 5 group A member 2
(Homo sapiens (Human)) | BDBM50418303
(CHEMBL1765959)Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6| Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of 6N-FAM from human LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS by competitive binding based fluorescence p... |
ACS Med Chem Lett 11: 365-370 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00442 BindingDB Entry DOI: 10.7270/Q2K35Z0D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nuclear receptor subfamily 5 group A member 2
(Homo sapiens (Human)) | BDBM50418303
(CHEMBL1765959)Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6| Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nuclear receptor subfamily 5 group A member 2
(Homo sapiens (Human)) | BDBM50418303
(CHEMBL1765959)Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6| Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human LRH1 ligand binding domain (300 to 537 residues) expressed in Escherichia coli BL21 cells assessed as increase ... |
J Med Chem 62: 11022-11034 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00753 BindingDB Entry DOI: 10.7270/Q2XK8JT8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nuclear receptor subfamily 5 group A member 2
(Homo sapiens (Human)) | BDBM50418303
(CHEMBL1765959)Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6| Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB
| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nuclear receptor subfamily 5 group A member 2
(Homo sapiens (Human)) | BDBM50418303
(CHEMBL1765959)Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6| Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Agonist activity at recombinant full length human LRH1 expressed in HeLa cells after 24 hrs by dual-glo luciferase reporter gene assay |
ACS Med Chem Lett 9: 1051-1056 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00361 BindingDB Entry DOI: 10.7270/Q2WW7MCP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nuclear receptor subfamily 5 group A member 2
(Homo sapiens (Human)) | BDBM50418303
(CHEMBL1765959)Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6| Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
University of Southampton
Curated by ChEMBL
| Assay Description Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control |
J Med Chem 54: 2266-81 (2011)
Article DOI: 10.1021/jm1014296 BindingDB Entry DOI: 10.7270/Q29Z957P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nuclear receptor subfamily 5 group A member 2
(Homo sapiens (Human)) | BDBM50418303
(CHEMBL1765959)Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6| Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay |
J Med Chem 62: 11022-11034 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00753 BindingDB Entry DOI: 10.7270/Q2XK8JT8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |