BDBM50428550 CHEMBL2337514

SMILES: C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=GKWGLSVLWXPCQU-RBZFPXEDSA-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 = 50428550   

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))	BDBM50428550 (CHEMBL2337514) Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H21ClN4O2/c1-13-20(27,15-5-7-18(23-12-15)19(26)24(2)3)8-9-25(13)16-6-4-14(11-22)17(21)10-16/h4-7,10,12-13,27H,8-9H2,1-3H3/t13-,20-/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	1.10E+3	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))	BDBM50428550 (CHEMBL2337514) Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H21ClN4O2/c1-13-20(27,15-5-7-18(23-12-15)19(26)24(2)3)8-9-25(13)16-6-4-14(11-22)17(21)10-16/h4-7,10,12-13,27H,8-9H2,1-3H3/t13-,20-/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	1.70E+3	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))	BDBM50428550 (CHEMBL2337514) Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H21ClN4O2/c1-13-20(27,15-5-7-18(23-12-15)19(26)24(2)3)8-9-25(13)16-6-4-14(11-22)17(21)10-16/h4-7,10,12-13,27H,8-9H2,1-3H3/t13-,20-/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	>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