BDBM50068089 CHEMBL3402223

SMILES: CC1(C)CCCN1c1ccc(C#N)c2ccccc12

InChI Key: InChIKey=JFOQAQUJROWDKY-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50068089   

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
Androgen Receptor (Homo sapiens (Human))	BDBM50068089 (CHEMBL3402223) Show SMILES CC1(C)CCCN1c1ccc(C#N)c2ccccc12 Show InChI InChI=1S/C17H18N2/c1-17(2)10-5-11-19(17)16-9-8-13(12-18)14-6-3-4-7-15(14)16/h3-4,6-9H,5,10-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Modulation of androgen receptor (unknown origin) expressed in Cos7 cells assessed as luciferase activity after 24 hrs				Bioorg Med Chem 23: 2568-78 (2015) Article DOI: 10.1016/j.bmc.2015.03.032 BindingDB Entry DOI: 10.7270/Q2JM2C94
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50068089 (CHEMBL3402223) Show SMILES CC1(C)CCCN1c1ccc(C#N)c2ccccc12 Show InChI InChI=1S/C17H18N2/c1-17(2)10-5-11-19(17)16-9-8-13(12-18)14-6-3-4-7-15(14)16/h3-4,6-9H,5,10-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs				Bioorg Med Chem 23: 2568-78 (2015) Article DOI: 10.1016/j.bmc.2015.03.032 BindingDB Entry DOI: 10.7270/Q2JM2C94
					More data for this Ligand-Target Pair