BDBM50198668 CHEMBL3955372

SMILES: CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1C

InChI Key: InChIKey=KQOPRUXRGLXURF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50198668   

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))	BDBM50198668 (CHEMBL3955372) Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1C Show InChI InChI=1S/C19H19N3O2/c1-4-22(5-2)17-11-18-13(6-9-19(23)24-18)10-15(17)16-8-7-14(12-20)21(16)3/h6-11H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Ochanomizu University Curated by ChEMBL					Assay Description Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...				Bioorg Med Chem 24: 5602-5610 (2016) Article DOI: 10.1016/j.bmc.2016.09.020 BindingDB Entry DOI: 10.7270/Q2R49SRM
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50198668 (CHEMBL3955372) Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1C Show InChI InChI=1S/C19H19N3O2/c1-4-22(5-2)17-11-18-13(6-9-19(23)24-18)10-15(17)16-8-7-14(12-20)21(16)3/h6-11H,4-5H2,1-3H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Ochanomizu University Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human GR measured after 18 hrs by scintillation counting method				Bioorg Med Chem 24: 5602-5610 (2016) Article DOI: 10.1016/j.bmc.2016.09.020 BindingDB Entry DOI: 10.7270/Q2R49SRM
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50198668 (CHEMBL3955372) Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1C Show InChI InChI=1S/C19H19N3O2/c1-4-22(5-2)17-11-18-13(6-9-19(23)24-18)10-15(17)16-8-7-14(12-20)21(16)3/h6-11H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ochanomizu University Curated by ChEMBL					Assay Description Displacement of [1,2,6,7-3H]progesterone from recombinant human GST-tagged PR-LBD (675 to 933 residues) expressed in baculovirus-infected insect cell...				Bioorg Med Chem 24: 5602-5610 (2016) Article DOI: 10.1016/j.bmc.2016.09.020 BindingDB Entry DOI: 10.7270/Q2R49SRM
					More data for this Ligand-Target Pair