BDBM50359006 CHEMBL1738936

SMILES: Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1

InChI Key: InChIKey=PNCBJXVNIRRHJP-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50359006   

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))	BDBM50359006 (CHEMBL1738936) Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1 Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana...				J Med Chem 54: 8563-73 (2011) Article DOI: 10.1021/jm201098n BindingDB Entry DOI: 10.7270/Q2QC03X8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen Receptor (Homo sapiens (human))	BDBM50359006 (CHEMBL1738936) Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1 Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay				J Med Chem 56: 1136-48 (2013) Article DOI: 10.1021/jm3015712 BindingDB Entry DOI: 10.7270/Q2ZW1N7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen Receptor (Homo sapiens (human))	BDBM50359006 (CHEMBL1738936) Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1 Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Displacement of 5-iodoacetamidofluorescein labeled SRC23 peptide CKENALLRYLLDKDD human androgen receptor AF2 site expressed in Escherichia coli BL21 ...				J Med Chem 54: 8563-73 (2011) Article DOI: 10.1021/jm201098n BindingDB Entry DOI: 10.7270/Q2QC03X8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen Receptor (Homo sapiens (human))	BDBM50359006 (CHEMBL1738936) Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1 Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells				J Med Chem 54: 8563-73 (2011) Article DOI: 10.1021/jm201098n BindingDB Entry DOI: 10.7270/Q2QC03X8
					More data for this Ligand-Target Pair				3D Structure (crystal)