BindingDB PrimarySearch

BDBM50248569 (1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)-piperazin-1-yl)methyl)-cyclopropanecarboxamide)::1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)piperazin-1-yl)methyl)cyclopropanecarboxamide::1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide::CHEMBL460962

SMILES: C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F

InChI Key: InChIKey=YJFULAYRAKPBCY-DYVFJYSZSA-N

Data: 2 KI 8 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50248569
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 using variable cofactor NADPH concentration by Lineweaver burk plot				Bioorg Med Chem 16: 8922-31 (2008) Article DOI: 10.1016/j.bmc.2008.08.065 BindingDB Entry DOI: 10.7270/Q22F7N8T
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 using variable substrate cortisol concentration by Lineweaver burk plot				Bioorg Med Chem 16: 8922-31 (2008) Article DOI: 10.1016/j.bmc.2008.08.065 BindingDB Entry DOI: 10.7270/Q22F7N8T
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 transfected in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 7071-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.097 BindingDB Entry DOI: 10.7270/Q21G0MHX
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co...				Bioorg Med Chem Lett 19: 1522-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.114 BindingDB Entry DOI: 10.7270/Q2QC03BN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp technique				Bioorg Med Chem Lett 19: 1522-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.114 BindingDB Entry DOI: 10.7270/Q2QC03BN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD2				Bioorg Med Chem Lett 19: 1522-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.114 BindingDB Entry DOI: 10.7270/Q2QC03BN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 by scintillation proximity assay				Bioorg Med Chem Lett 20: 7071-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.097 BindingDB Entry DOI: 10.7270/Q21G0MHX
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 19: 1522-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.114 BindingDB Entry DOI: 10.7270/Q2QC03BN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG tagged human recombinant 11beta-HSD1 reductase activity expressed in Trichoplusia ni Hi5 cells				Bioorg Med Chem 16: 8922-31 (2008) Article DOI: 10.1016/j.bmc.2008.08.065 BindingDB Entry DOI: 10.7270/Q22F7N8T
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH				Bioorg Med Chem Lett 19: 1522-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.114 BindingDB Entry DOI: 10.7270/Q2QC03BN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)