BDBM50252438 (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine::(R)-1-(3-(1H-1,2,4-triazol-1-yl)phenylsulfonyl)-4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazine::CHEMBL518303

SMILES: C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cncn1)c1ccc(F)cc1C(F)(F)F

InChI Key: InChIKey=ALJLAOVBUJZEDK-CQSZACIVSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50252438   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50252438 ((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...) Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cncn1)c1ccc(F)cc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O2S/c1-14-11-27(19-6-5-15(21)9-18(19)20(22,23)24)7-8-29(14)32(30,31)17-4-2-3-16(10-17)28-13-25-12-26-28/h2-6,9-10,12-14H,7-8,11H2,1H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 expressed in CHO cells by cell based assay				J Med Chem 51: 4068-71 (2008) Article DOI: 10.1021/jm8004948 BindingDB Entry DOI: 10.7270/Q22N523V
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) (Rattus norvegicus (rat))	BDBM50252438 ((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...) Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cncn1)c1ccc(F)cc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O2S/c1-14-11-27(19-6-5-15(21)9-18(19)20(22,23)24)7-8-29(14)32(30,31)17-4-2-3-16(10-17)28-13-25-12-26-28/h2-6,9-10,12-14H,7-8,11H2,1H3/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat 11betaHSD1				J Med Chem 51: 4068-71 (2008) Article DOI: 10.1021/jm8004948 BindingDB Entry DOI: 10.7270/Q22N523V
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50252438 ((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...) Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cncn1)c1ccc(F)cc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O2S/c1-14-11-27(19-6-5-15(21)9-18(19)20(22,23)24)7-8-29(14)32(30,31)17-4-2-3-16(10-17)28-13-25-12-26-28/h2-6,9-10,12-14H,7-8,11H2,1H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of C57BL/6 mouse 11betaHSD1 in presence of human serum				J Med Chem 51: 4068-71 (2008) Article DOI: 10.1021/jm8004948 BindingDB Entry DOI: 10.7270/Q22N523V
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50252438 ((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...) Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cncn1)c1ccc(F)cc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O2S/c1-14-11-27(19-6-5-15(21)9-18(19)20(22,23)24)7-8-29(14)32(30,31)17-4-2-3-16(10-17)28-13-25-12-26-28/h2-6,9-10,12-14H,7-8,11H2,1H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mouse 11betaHSD1 expressed in CHO cells by cell based assay				J Med Chem 51: 4068-71 (2008) Article DOI: 10.1021/jm8004948 BindingDB Entry DOI: 10.7270/Q22N523V
					More data for this Ligand-Target Pair