BDBM50086537 2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihydro-quinoline::2,2,4-trimethyl-6-(5-nitrothiophen-2-yl)-1,2-dihydroquinoline::CHEMBL133656

SMILES: CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O

InChI Key: InChIKey=DCFLRZWZJAAAGE-UHFFFAOYSA-N

Data: 2 KI  3 IC50  1 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 6 hits for monomerid = 50086537   

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))	BDBM50086537 (2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihy...) Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1| Show InChI InChI=1S/C16H16N2O2S/c1-10-9-16(2,3)17-13-5-4-11(8-12(10)13)14-6-7-15(21-14)18(19)20/h4-9,17H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.60	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))	BDBM50086537 (2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihy...) Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1| Show InChI InChI=1S/C16H16N2O2S/c1-10-9-16(2,3)17-13-5-4-11(8-12(10)13)14-6-7-15(21-14)18(19)20/h4-9,17H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.60	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
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50086537 (2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihy...) Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1| Show InChI InChI=1S/C16H16N2O2S/c1-10-9-16(2,3)17-13-5-4-11(8-12(10)13)14-6-7-15(21-14)18(19)20/h4-9,17H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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
Androgen Receptor (Homo sapiens (Human))	BDBM50086537 (2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihy...) Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1| Show InChI InChI=1S/C16H16N2O2S/c1-10-9-16(2,3)17-13-5-4-11(8-12(10)13)14-6-7-15(21-14)18(19)20/h4-9,17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.46E+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 androgen receptor (hAR)				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))	BDBM50086537 (2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihy...) Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1| Show InChI InChI=1S/C16H16N2O2S/c1-10-9-16(2,3)17-13-5-4-11(8-12(10)13)14-6-7-15(21-14)18(19)20/h4-9,17H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line				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))	BDBM50086537 (2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihy...) Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1| Show InChI InChI=1S/C16H16N2O2S/c1-10-9-16(2,3)17-13-5-4-11(8-12(10)13)14-6-7-15(21-14)18(19)20/h4-9,17H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity against human progesterone receptor (hPR) using cotransfection assay 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