BDBM50373239 CHEMBL256768

SMILES: COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12

InChI Key: InChIKey=XRNVRWIQRZYNCK-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50373239   

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))	BDBM50373239 (CHEMBL256768) Show SMILES COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12 Show InChI InChI=1S/C21H19NO5/c1-10(2)26-15-8-7-14-18(20(15)25-4)12-5-6-13-17(19(12)21(24)27-14)11(3)9-16(23)22-13/h5-10H,1-4H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assay				Bioorg Med Chem Lett 18: 3431-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.085 BindingDB Entry DOI: 10.7270/Q25M66J9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50373239 (CHEMBL256768) Show SMILES COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12 Show InChI InChI=1S/C21H19NO5/c1-10(2)26-15-8-7-14-18(20(15)25-4)12-5-6-13-17(19(12)21(24)27-14)11(3)9-16(23)22-13/h5-10H,1-4H3,(H,22,23)	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Activity at androgen receptor in human Saos2 cells assessed as IL6 repression				Bioorg Med Chem Lett 18: 3431-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.085 BindingDB Entry DOI: 10.7270/Q25M66J9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50373239 (CHEMBL256768) Show SMILES COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12 Show InChI InChI=1S/C21H19NO5/c1-10(2)26-15-8-7-14-18(20(15)25-4)12-5-6-13-17(19(12)21(24)27-14)11(3)9-16(23)22-13/h5-10H,1-4H3,(H,22,23)	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	23	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assay				Bioorg Med Chem Lett 18: 3431-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.085 BindingDB Entry DOI: 10.7270/Q25M66J9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50373239 (CHEMBL256768) Show SMILES COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12 Show InChI InChI=1S/C21H19NO5/c1-10(2)26-15-8-7-14-18(20(15)25-4)12-5-6-13-17(19(12)21(24)27-14)11(3)9-16(23)22-13/h5-10H,1-4H3,(H,22,23)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assay				Bioorg Med Chem Lett 18: 3431-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.085 BindingDB Entry DOI: 10.7270/Q25M66J9
					More data for this Ligand-Target Pair