BDBM50334677 CHEMBL1642597::N-((4S)-4-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)cyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

SMILES: C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1F)C(F)(F)F

InChI Key: InChIKey=ARBJQRGIOIYLRN-PUUVEUEGSA-N

Data: 4 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 4 hits for monomerid = 50334677   

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))	BDBM50334677 (CHEMBL1642597 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...) Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(24.79,-23.04,;26.12,-22.26,;24.63,-21.87,;27.46,-23.03,;28.79,-22.25,;30.13,-23.02,;30.12,-24.56,;28.8,-25.34,;27.47,-24.58,;31.46,-25.33,;31.47,-26.87,;32.79,-24.55,;32.79,-23.01,;33.56,-21.68,;32.02,-21.68,;34.13,-25.32,;35.46,-24.54,;36.79,-25.32,;36.79,-26.86,;38.12,-26.08,;39.46,-26.84,;40.79,-26.06,;42.13,-26.82,;40.78,-24.52,;35.46,-27.62,;34.13,-26.86,;37.55,-28.19,;39.07,-28.2,;39.83,-29.52,;39.06,-30.85,;37.53,-30.84,;36.77,-29.51,;35.23,-29.5,;26.11,-20.72,;27.44,-19.94,;24.77,-19.96,;25.71,-19.23,)| Show InChI InChI=1S/C28H32F4N2O3/c1-26(37,28(30,31)32)19-8-6-18(7-9-19)25(36)34(20-10-11-20)21-12-15-27(16-13-21,17-14-24(33)35)22-4-2-3-5-23(22)29/h2-9,20-21,37H,10-17H2,1H3,(H2,33,35)/t21-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant full length 11beta-HSD1 expressed in human adipocytes assessed as inhibition of conversion of [3H]cortisone to [3H]co...				Bioorg Med Chem Lett 21: 405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.10.129 BindingDB Entry DOI: 10.7270/Q2K937SB
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50334677 (CHEMBL1642597 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...) Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(24.79,-23.04,;26.12,-22.26,;24.63,-21.87,;27.46,-23.03,;28.79,-22.25,;30.13,-23.02,;30.12,-24.56,;28.8,-25.34,;27.47,-24.58,;31.46,-25.33,;31.47,-26.87,;32.79,-24.55,;32.79,-23.01,;33.56,-21.68,;32.02,-21.68,;34.13,-25.32,;35.46,-24.54,;36.79,-25.32,;36.79,-26.86,;38.12,-26.08,;39.46,-26.84,;40.79,-26.06,;42.13,-26.82,;40.78,-24.52,;35.46,-27.62,;34.13,-26.86,;37.55,-28.19,;39.07,-28.2,;39.83,-29.52,;39.06,-30.85,;37.53,-30.84,;36.77,-29.51,;35.23,-29.5,;26.11,-20.72,;27.44,-19.94,;24.77,-19.96,;25.71,-19.23,)| Show InChI InChI=1S/C28H32F4N2O3/c1-26(37,28(30,31)32)19-8-6-18(7-9-19)25(36)34(20-10-11-20)21-12-15-27(16-13-21,17-14-24(33)35)22-4-2-3-5-23(22)29/h2-9,20-21,37H,10-17H2,1H3,(H2,33,35)/t21-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortis...				Bioorg Med Chem Lett 21: 405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.10.129 BindingDB Entry DOI: 10.7270/Q2K937SB
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50334677 (CHEMBL1642597 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...) Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(24.79,-23.04,;26.12,-22.26,;24.63,-21.87,;27.46,-23.03,;28.79,-22.25,;30.13,-23.02,;30.12,-24.56,;28.8,-25.34,;27.47,-24.58,;31.46,-25.33,;31.47,-26.87,;32.79,-24.55,;32.79,-23.01,;33.56,-21.68,;32.02,-21.68,;34.13,-25.32,;35.46,-24.54,;36.79,-25.32,;36.79,-26.86,;38.12,-26.08,;39.46,-26.84,;40.79,-26.06,;42.13,-26.82,;40.78,-24.52,;35.46,-27.62,;34.13,-26.86,;37.55,-28.19,;39.07,-28.2,;39.83,-29.52,;39.06,-30.85,;37.53,-30.84,;36.77,-29.51,;35.23,-29.5,;26.11,-20.72,;27.44,-19.94,;24.77,-19.96,;25.71,-19.23,)| Show InChI InChI=1S/C28H32F4N2O3/c1-26(37,28(30,31)32)19-8-6-18(7-9-19)25(36)34(20-10-11-20)21-12-15-27(16-13-21,17-14-24(33)35)22-4-2-3-5-23(22)29/h2-9,20-21,37H,10-17H2,1H3,(H2,33,35)/t21-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortis...				Bioorg Med Chem Lett 21: 405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.10.129 BindingDB Entry DOI: 10.7270/Q2K937SB
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50334677 (CHEMBL1642597 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...) Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(24.79,-23.04,;26.12,-22.26,;24.63,-21.87,;27.46,-23.03,;28.79,-22.25,;30.13,-23.02,;30.12,-24.56,;28.8,-25.34,;27.47,-24.58,;31.46,-25.33,;31.47,-26.87,;32.79,-24.55,;32.79,-23.01,;33.56,-21.68,;32.02,-21.68,;34.13,-25.32,;35.46,-24.54,;36.79,-25.32,;36.79,-26.86,;38.12,-26.08,;39.46,-26.84,;40.79,-26.06,;42.13,-26.82,;40.78,-24.52,;35.46,-27.62,;34.13,-26.86,;37.55,-28.19,;39.07,-28.2,;39.83,-29.52,;39.06,-30.85,;37.53,-30.84,;36.77,-29.51,;35.23,-29.5,;26.11,-20.72,;27.44,-19.94,;24.77,-19.96,;25.71,-19.23,)| Show InChI InChI=1S/C28H32F4N2O3/c1-26(37,28(30,31)32)19-8-6-18(7-9-19)25(36)34(20-10-11-20)21-12-15-27(16-13-21,17-14-24(33)35)22-4-2-3-5-23(22)29/h2-9,20-21,37H,10-17H2,1H3,(H2,33,35)/t21-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay				Bioorg Med Chem Lett 21: 405-10 (2010) Article DOI: 10.1016/j.bmcl.2010.10.129 BindingDB Entry DOI: 10.7270/Q2K937SB
					More data for this Ligand-Target Pair