BDBM50273458 (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one::(S)-2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(2-hydroxypropan-2-yl)-5-methylthiazol-4(5H)-one::CHEMBL455907

SMILES: C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1

InChI Key: InChIKey=HYVZYASDRIAOPU-BJOHPYRUSA-N

Data: 4 KI  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 8 hits for monomerid = 50273458   

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 type 1 (Canis familiaris)	BDBM50273458 ((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...) Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12	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 dog recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273458 ((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...) Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	35	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 recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50273458 ((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...) Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	100	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 mouse recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) (Rattus norvegicus (rat))	BDBM50273458 ((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...) Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	300	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 rat recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 1 (Canis familiaris)	BDBM50273458 ((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...) Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of dog 11beta-HSD1 expressed in CHO cells assessed as conversion of cortisone to cortisol by ELISA				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50273458 ((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...) Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO cells assessed as conversion of cortisone to cortisol by ELISA				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273458 ((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...) Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO cells assessed as conversion of cortisone to cortisol by ELISA				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) (Rattus norvegicus (rat))	BDBM50273458 ((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...) Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of rat 11beta-HSD1 expressed in CHO cells assessed as conversion of cortisone to cortisol by ELISA				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair