BDBM50366221 CHEMBL1957608

SMILES: Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=ALMASABXCFFRHW-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 = 50366221   

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))	BDBM50366221 (CHEMBL1957608) Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-21(16(2)29(28-15)20-10-9-19(13-26)22(25)12-20)11-17-5-7-18(8-6-17)23(30)27-14-24(3,4)31/h5-10,12,31H,11,14H2,1-4H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50366221 (CHEMBL1957608) Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-21(16(2)29(28-15)20-10-9-19(13-26)22(25)12-20)11-17-5-7-18(8-6-17)23(30)27-14-24(3,4)31/h5-10,12,31H,11,14H2,1-4H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 androgen receptor expressed in Cos7 cells after 24 hrs by luciferase reporter gene assay				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50366221 (CHEMBL1957608) Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-21(16(2)29(28-15)20-10-9-19(13-26)22(25)12-20)11-17-5-7-18(8-6-17)23(30)27-14-24(3,4)31/h5-10,12,31H,11,14H2,1-4H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h...				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair