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

Data: 3 KI  6 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50086551   

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
Progesterone receptor (Homo sapiens (Human))	BDBM50086551 (4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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...) Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3	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