BindingDB PrimarySearch

BDBM50086550 4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-thiophene-2-carbonitrile::4-methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carbonitrile::CHEMBL132889

SMILES: Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N

InChI Key: InChIKey=MWIXIWILHMYRGD-UHFFFAOYSA-N

Data: 3 KI 4 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50086550
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Progesterone receptor (Homo sapiens (Human))	BDBM50086550 (4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scientific Computing Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from Progesterone receptor				J Med Chem 49: 4261-8 (2006) Article DOI: 10.1021/jm060234e BindingDB Entry DOI: 10.7270/Q2V69NB6
Scientific Computing Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50086550 (4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90	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
Ligand Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50086550 (4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor by competitive assay				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50086550 (4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	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
Ligand Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50086550 (4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	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
Ligand Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50086550 (4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...) Show SMILES Show InChI	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	150	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
Ligand Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50086550 (4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...) Show SMILES Show InChI	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	350	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
Ligand Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50086550 (4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...) Show SMILES Show InChI	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	2.10E+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
Ligand Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair