BDBM50086551 4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-quinolin-6-yl)-thiophene-2-carbonitrile::CHEMBL134260::racemic-4-methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carbonitrile
SMILES: CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
InChI Key: InChIKey=RSVKCRGCARHPAC-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Progesterone receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity against human progesterone receptor (hPR) in a competitive binding assay | Bioorg Med Chem Lett 10: 415-8 (2000) BindingDB Entry DOI: 10.7270/Q2P26ZMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity at progesterone receptor | Bioorg Med Chem Lett 18: 3504-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of radiolabeled Dexamethasone from glucocorticoid receptor | Bioorg Med Chem Lett 18: 3504-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Cross-reactivity as binding to human glucocorticoid receptor (hGR) | Bioorg Med Chem Lett 10: 415-8 (2000) BindingDB Entry DOI: 10.7270/Q2P26ZMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 2.29E+3 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Human progesterone receptor (hPR) agonist activity expressed in CV-1 cells | Bioorg Med Chem Lett 10: 415-8 (2000) BindingDB Entry DOI: 10.7270/Q2P26ZMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Cross-reactivity as binding to human androgen receptor (hAR) | Bioorg Med Chem Lett 10: 415-8 (2000) BindingDB Entry DOI: 10.7270/Q2P26ZMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Activity at glucocorticoid receptor assessed as repression of TNFalpha and IL1 beta-induced E-selectin expression | Bioorg Med Chem Lett 18: 3504-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Antagonist activity at glucocorticoid receptor assessed as inhibition of dexamethasone-induced glucose response element transcriptional transactivati... | Bioorg Med Chem Lett 18: 3504-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity against human progesterone receptor (hPR) in a competitive binding assay | Bioorg Med Chem Lett 10: 415-8 (2000) BindingDB Entry DOI: 10.7270/Q2P26ZMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Cross-reactivity as binding to human mineralocorticoid receptor (hMR) | Bioorg Med Chem Lett 10: 415-8 (2000) BindingDB Entry DOI: 10.7270/Q2P26ZMF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at glucocorticoid receptor assessed as glucose repsponse element transcriptional transactivation by luciferase assay | Bioorg Med Chem Lett 18: 3504-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F | |||||||||||
More data for this Ligand-Target Pair |