BDBM18725 6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-ylsulfanyl)ethyl]-1,2-dihydroquinoline::dihydroquinoline-based ligand, 14

SMILES: COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)SCC=C)c2c1

InChI Key: InChIKey=GWXSFBMSMRCBDS-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 18725   

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))	BDBM18725 (6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)SCC=C)c2c1 |t:17| Show InChI InChI=1S/C23H27NOS/c1-6-13-26-16(2)20-15-23(3,4)24-21-12-11-17(14-19(20)21)18-9-7-8-10-22(18)25-5/h6-12,14-16,24H,1,13H2,2-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 17: 5091-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.021 BindingDB Entry DOI: 10.7270/Q21J981M
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18725 (6-(2-methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)SCC=C)c2c1 |t:17| Show InChI InChI=1S/C23H27NOS/c1-6-13-26-16(2)20-15-23(3,4)24-21-12-11-17(14-19(20)21)18-9-7-8-10-22(18)25-5/h6-12,14-16,24H,1,13H2,2-5H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 17: 5091-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.021 BindingDB Entry DOI: 10.7270/Q21J981M
					More data for this Ligand-Target Pair