BDBM50428556 CHEMBL2337508

SMILES: OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1

InChI Key: InChIKey=APGSUVBRVVNRPJ-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50428556   

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))	BDBM50428556 (CHEMBL2337508) Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 Show InChI InChI=1S/C17H14ClFN2O/c18-16-9-15(6-1-12(16)10-20)21-8-7-17(22,11-21)13-2-4-14(19)5-3-13/h1-6,9,22H,7-8,11H2	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	180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50428556 (CHEMBL2337508) Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 Show InChI InChI=1S/C17H14ClFN2O/c18-16-9-15(6-1-12(16)10-20)21-8-7-17(22,11-21)13-2-4-14(19)5-3-13/h1-6,9,22H,7-8,11H2	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	68	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50428556 (CHEMBL2337508) Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 Show InChI InChI=1S/C17H14ClFN2O/c18-16-9-15(6-1-12(16)10-20)21-8-7-17(22,11-21)13-2-4-14(19)5-3-13/h1-6,9,22H,7-8,11H2	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	>1.00E+4	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair