BDBM19247 2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]butanamide::Racemic mixture::arylisothiocyanato derivative, 31

SMILES: CC(O)(CCc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key: InChIKey=MBCNDSMLFINWKN-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 19247   

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 (Rattus norvegicus (Rat))	BDBM19247 (2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4...) Show SMILES CC(O)(CCc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C19H16F3N3O4S/c1-18(27,9-8-12-2-4-13(5-3-12)23-11-30)17(26)24-14-6-7-16(25(28)29)15(10-14)19(20,21)22/h2-7,10,27H,8-9H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31.8	-9.50	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM19247 (2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4...) Show SMILES CC(O)(CCc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C19H16F3N3O4S/c1-18(27,9-8-12-2-4-13(5-3-12)23-11-30)17(26)24-14-6-7-16(25(28)29)15(10-14)19(20,21)22/h2-7,10,27H,8-9H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hr...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973
					More data for this Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM19247 (2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4...) Show SMILES CC(O)(CCc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C19H16F3N3O4S/c1-18(27,9-8-12-2-4-13(5-3-12)23-11-30)17(26)24-14-6-7-16(25(28)29)15(10-14)19(20,21)22/h2-7,10,27H,8-9H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hr...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973
					More data for this Ligand-Target Pair