BDBM50242303 CHEMBL4100995

SMILES: CC[C@H]1[C@@H](O)[C@H](C)C(=O)N1c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=SHAOFUWVZYWFRX-HJIKLVIJSA-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 = 50242303   

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))	BDBM50242303 (CHEMBL4100995) Show SMILES CC[C@H]1[C@@H](O)[C@H](C)C(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C14H15ClN2O2/c1-3-12-13(18)8(2)14(19)17(12)10-5-4-9(7-16)11(15)6-10/h4-6,8,12-13,18H,3H2,1-2H3/t8-,12-,13-/m0/s1	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	0.390	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human AR expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assay				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50242303 (CHEMBL4100995) Show SMILES CC[C@H]1[C@@H](O)[C@H](C)C(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C14H15ClN2O2/c1-3-12-13(18)8(2)14(19)17(12)10-5-4-9(7-16)11(15)6-10/h4-6,8,12-13,18H,3H2,1-2H3/t8-,12-,13-/m0/s1	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	1.80	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 human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair