BDBM50122642 CHEMBL3623121

SMILES: [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)NC(C)C)c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=LDINTYOMDVMIDL-JUTSDSCYSA-N

Data: 1 KI  1 IC50

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 = 50122642   

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))	BDBM50122642 (CHEMBL3623121) Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)NC(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| Show InChI InChI=1S/C22H23F3N4O4/c1-10(2)27-19(32)28-14-8-20(3)15-16(21(14,4)33-20)18(31)29(17(15)30)12-6-5-11(9-26)13(7-12)22(23,24)25/h5-7,10,14-16H,8H2,1-4H3,(H2,27,28,32)/t14-,15-,16+,20+,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis				ACS Med Chem Lett 6: 908-12 (2015) BindingDB Entry DOI: 10.7270/Q2QV3P96
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50122642 (CHEMBL3623121) Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)NC(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| Show InChI InChI=1S/C22H23F3N4O4/c1-10(2)27-19(32)28-14-8-20(3)15-16(21(14,4)33-20)18(31)29(17(15)30)12-6-5-11(9-26)13(7-12)22(23,24)25/h5-7,10,14-16H,8H2,1-4H3,(H2,27,28,32)/t14-,15-,16+,20+,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of DHT-induced PSA expression by alkaline phosphatase repor...				ACS Med Chem Lett 6: 908-12 (2015) BindingDB Entry DOI: 10.7270/Q2QV3P96
					More data for this Ligand-Target Pair