BindingDB logo
myBDB logout

22 similar compounds to monomer 50112151

Compile data set for download or QSAR
Wt: 451.5
BDBM50112140
Wt: 471.9
BDBM50112149
Wt: 431.4
BDBM50112163
Wt: 447.5
BDBM50112162
Wt: 701.7
BDBM50112169
Wt: 651.1
BDBM50112170
Wt: 469.4
BDBM50112168
Wt: 408.4
BDBM50112166
Wt: 409.4
BDBM50112135
Wt: 423.5
BDBM50112139
Wt: 439.5
BDBM50112137
Wt: 439.5
BDBM50112138
Wt: 492.6
BDBM50112147
Wt: 473.5
BDBM50112150
Wt: 455.5
BDBM50112153
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50112140,50112149,50112163,50112162,50112169,50112170,50112168,50112166,50112135,50112139,50112137,50112138,50112147,50112150,50112153   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112140
PNG
(CHEMBL3609868 | US9464044, 68)
Show SMILES CC(C)(CNS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,12-25-31(29,30)17-6-4-3-5-16(17)23)20(28)26-18-14-7-13-8-15(18)11-22(9-13,10-14)19(24)27/h3-6,13-15,18,25H,7-12H2,1-2H3,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,22?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.90n/an/an/an/a6.025



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JH0
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel subunit alpha


(Mus musculus)
BDBM50112170
PNG
(CHEMBL3608425)
Show SMILES [O-]C(=O)C(F)(F)F.COc1ccc(CCC[N+]2(CCCc3ccccc3)CCCC(C2)NC(=O)c2nc(Cl)c(N)nc2N)cc1
Show InChI InChI=1S/C29H37ClN6O2.C2HF3O2/c1-38-24-15-13-22(14-16-24)11-6-18-36(17-5-10-21-8-3-2-4-9-21)19-7-12-23(20-36)33-29(37)25-27(31)35-28(32)26(30)34-25;3-2(4,5)1(6)7/h2-4,8-9,13-16,23H,5-7,10-12,17-20H2,1H3,(H4-,31,32,33,35,37);(H,6,7)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ENaC in mouse M1 assessed as effect on trans epithelial electrical resistance by measuring short circuit currents by voltage-clamp base...


ACS Med Chem Lett 6: 729-31 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00186
BindingDB Entry DOI: 10.7270/Q2348N52
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112135
PNG
(CHEMBL3609863)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)CNS(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C19H24FN3O4S/c20-14-3-1-2-4-15(14)28(26,27)22-10-16(24)23-17-12-5-11-6-13(17)9-19(7-11,8-12)18(21)25/h1-4,11-13,17,22H,5-10H2,(H2,21,25)(H,23,24)/t11?,12?,13?,17-,19?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112137
PNG
(CHEMBL3609865)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C20H26FN3O5S/c21-14-3-1-2-4-16(14)30(28,29)24-15(10-25)18(26)23-17-12-5-11-6-13(17)9-20(7-11,8-12)19(22)27/h1-4,11-13,15,17,24-25H,5-10H2,(H2,22,27)(H,23,26)/t11?,12?,13?,15-,17-,20?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112138
PNG
(CHEMBL3609866)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C20H26FN3O5S/c21-14-3-1-2-4-16(14)30(28,29)24-15(10-25)18(26)23-17-12-5-11-6-13(17)9-20(7-11,8-12)19(22)27/h1-4,11-13,15,17,24-25H,5-10H2,(H2,22,27)(H,23,26)/t11?,12?,13?,15-,17-,20?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112139
PNG
(CHEMBL3609867)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C20H26FN3O4S/c21-15-3-1-2-4-16(15)29(27,28)23-6-5-17(25)24-18-13-7-12-8-14(18)11-20(9-12,10-13)19(22)26/h1-4,12-14,18,23H,5-11H2,(H2,22,26)(H,24,25)/t12?,13?,14?,18-,20?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112140
PNG
(CHEMBL3609868 | US9464044, 68)
Show SMILES CC(C)(CNS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,12-25-31(29,30)17-6-4-3-5-16(17)23)20(28)26-18-14-7-13-8-15(18)11-22(9-13,10-14)19(24)27/h3-6,13-15,18,25H,7-12H2,1-2H3,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,22?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112147
PNG
(CHEMBL3609875)
Show SMILES CN(C)COc1ccc(cc1)S(=O)(=O)NC(C)(C)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C24H36N4O5S/c1-23(2,27-34(31,32)19-7-5-18(6-8-19)33-14-28(3)4)22(30)26-20-16-9-15-10-17(20)13-24(11-15,12-16)21(25)29/h5-8,15-17,20,27H,9-14H2,1-4H3,(H2,25,29)(H,26,30)/t15?,16?,17?,20-,24?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112149
PNG
(CHEMBL3609877)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27ClFN3O4S/c1-20(2,26-31(29,30)16-4-3-14(23)7-15(16)22)19(28)25-17-12-5-11-6-13(17)10-21(8-11,9-12)18(24)27/h3-4,7,11-13,17,26H,5-6,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112150
PNG
(CHEMBL3608399)
Show SMILES CC(C)(NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H26F3N3O4S/c1-20(2,27-32(30,31)16-6-14(23)13(22)5-15(16)24)19(29)26-17-11-3-10-4-12(17)9-21(7-10,8-11)18(25)28/h5-6,10-12,17,27H,3-4,7-9H2,1-2H3,(H2,25,28)(H,26,29)/t10?,11?,12?,17-,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112153
PNG
(CHEMBL3608402 | US9464044, 83)
Show SMILES CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112135
PNG
(CHEMBL3609863)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)CNS(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C19H24FN3O4S/c20-14-3-1-2-4-15(14)28(26,27)22-10-16(24)23-17-12-5-11-6-13(17)9-19(7-11,8-12)18(21)25/h1-4,11-13,17,22H,5-10H2,(H2,21,25)(H,23,24)/t11?,12?,13?,17-,19?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112137
PNG
(CHEMBL3609865)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C20H26FN3O5S/c21-14-3-1-2-4-16(14)30(28,29)24-15(10-25)18(26)23-17-12-5-11-6-13(17)9-20(7-11,8-12)19(22)27/h1-4,11-13,15,17,24-25H,5-10H2,(H2,22,27)(H,23,26)/t11?,12?,13?,15-,17-,20?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112138
PNG
(CHEMBL3609866)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C20H26FN3O5S/c21-14-3-1-2-4-16(14)30(28,29)24-15(10-25)18(26)23-17-12-5-11-6-13(17)9-20(7-11,8-12)19(22)27/h1-4,11-13,15,17,24-25H,5-10H2,(H2,22,27)(H,23,26)/t11?,12?,13?,15-,17-,20?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112139
PNG
(CHEMBL3609867)
Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C20H26FN3O4S/c21-15-3-1-2-4-16(15)29(27,28)23-6-5-17(25)24-18-13-7-12-8-14(18)11-20(9-12,10-13)19(22)26/h1-4,12-14,18,23H,5-11H2,(H2,22,26)(H,24,25)/t12?,13?,14?,18-,20?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112140
PNG
(CHEMBL3609868 | US9464044, 68)
Show SMILES CC(C)(CNS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,12-25-31(29,30)17-6-4-3-5-16(17)23)20(28)26-18-14-7-13-8-15(18)11-22(9-13,10-14)19(24)27/h3-6,13-15,18,25H,7-12H2,1-2H3,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,22?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 204n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112147
PNG
(CHEMBL3609875)
Show SMILES CN(C)COc1ccc(cc1)S(=O)(=O)NC(C)(C)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C24H36N4O5S/c1-23(2,27-34(31,32)19-7-5-18(6-8-19)33-14-28(3)4)22(30)26-20-16-9-15-10-17(20)13-24(11-15,12-16)21(25)29/h5-8,15-17,20,27H,9-14H2,1-4H3,(H2,25,29)(H,26,30)/t15?,16?,17?,20-,24?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112149
PNG
(CHEMBL3609877)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27ClFN3O4S/c1-20(2,26-31(29,30)16-4-3-14(23)7-15(16)22)19(28)25-17-12-5-11-6-13(17)10-21(8-11,9-12)18(24)27/h3-4,7,11-13,17,26H,5-6,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112150
PNG
(CHEMBL3608399)
Show SMILES CC(C)(NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H26F3N3O4S/c1-20(2,27-32(30,31)16-6-14(23)13(22)5-15(16)24)19(29)26-17-11-3-10-4-12(17)9-21(7-10,8-11)18(25)28/h5-6,10-12,17,27H,3-4,7-9H2,1-2H3,(H2,25,28)(H,26,29)/t10?,11?,12?,17-,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 207n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112153
PNG
(CHEMBL3608402 | US9464044, 83)
Show SMILES CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50112162
PNG
(CHEMBL3608413)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C25H26FN5O2/c1-30-13-18(12-28-30)16-8-9-17(20(26)11-16)14-31-15-19(24-22(31)6-4-10-27-24)25(33)29-21-5-2-3-7-23(21)32/h4,6,8-13,15,21,23,32H,2-3,5,7,14H2,1H3,(H,29,33)/t21-,23-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.80n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50112163
PNG
(CHEMBL3608419)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C24H25N5O3/c1-28-13-18(11-26-28)17-6-4-16(5-7-17)12-29-14-19(23-21(29)3-2-9-25-23)24(31)27-20-15-32-10-8-22(20)30/h2-7,9,11,13-14,20,22,30H,8,10,12,15H2,1H3,(H,27,31)/t20-,22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50112166
PNG
(CHEMBL3608422)
Show SMILES CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C22H24N4O4/c1-23-21(28)15-6-4-14(5-7-15)11-26-12-16(20-18(26)3-2-9-24-20)22(29)25-17-13-30-10-8-19(17)27/h2-7,9,12,17,19,27H,8,10-11,13H2,1H3,(H,23,28)(H,25,29)/t17-,19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.10n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112162
PNG
(CHEMBL3608413)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C25H26FN5O2/c1-30-13-18(12-28-30)16-8-9-17(20(26)11-16)14-31-15-19(24-22(31)6-4-10-27-24)25(33)29-21-5-2-3-7-23(21)32/h4,6,8-13,15,21,23,32H,2-3,5,7,14H2,1H3,(H,29,33)/t21-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 35n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112163
PNG
(CHEMBL3608419)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C24H25N5O3/c1-28-13-18(11-26-28)17-6-4-16(5-7-17)12-29-14-19(23-21(29)3-2-9-25-23)24(31)27-20-15-32-10-8-22(20)30/h2-7,9,11,13-14,20,22,30H,8,10,12,15H2,1H3,(H,27,31)/t20-,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112166
PNG
(CHEMBL3608422)
Show SMILES CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C22H24N4O4/c1-23-21(28)15-6-4-14(5-7-15)11-26-12-16(20-18(26)3-2-9-24-20)22(29)25-17-13-30-10-8-19(17)27/h2-7,9,12,17,19,27H,8,10-11,13H2,1H3,(H,23,28)(H,25,29)/t17-,19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 18n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel subunit alpha


(Mus musculus)
BDBM50112168
PNG
(CHEMBL3608423)
Show SMILES [Cl-].COc1ccc(CCC[N@@+]2(C)CCC[C@@H](C2)NC(=O)c2nc(Cl)c(N)nc2N)cc1
Show InChI InChI=1S/C21H29ClN6O2.ClH/c1-28(11-3-5-14-7-9-16(30-2)10-8-14)12-4-6-15(13-28)25-21(29)17-19(23)27-20(24)18(22)26-17;/h7-10,15H,3-6,11-13H2,1-2H3,(H4-,23,24,25,27,29);1H/t15-,28-;/m0./s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ENaC in mouse M1 assessed as effect on trans epithelial electrical resistance by measuring short circuit currents by voltage-clamp base...


ACS Med Chem Lett 6: 729-31 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00186
BindingDB Entry DOI: 10.7270/Q2348N52
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel subunit alpha


(Mus musculus)
BDBM50112169
PNG
(CHEMBL3608424)
Show SMILES [Cl-].COc1ccc(CCC[N+]2(CCCc3ccc(cc3)C(=O)NCCCN(C)C)CCCC(C2)NC(=O)c2nc(Cl)c(N)nc2N)cc1
Show InChI InChI=1S/C35H49ClN8O3.ClH/c1-43(2)20-7-19-39-34(45)27-15-11-25(12-16-27)8-4-21-44(22-5-9-26-13-17-29(47-3)18-14-26)23-6-10-28(24-44)40-35(46)30-32(37)42-33(38)31(36)41-30;/h11-18,28H,4-10,19-24H2,1-3H3,(H5-,37,38,39,40,42,45,46);1H
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ENaC in mouse M1 assessed as effect on trans epithelial electrical resistance by measuring short circuit currents by voltage-clamp base...


ACS Med Chem Lett 6: 729-31 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00186
BindingDB Entry DOI: 10.7270/Q2348N52
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50112153
PNG
(CHEMBL3608402 | US9464044, 83)
Show SMILES CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.90n/an/an/an/a6.025



AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...


US Patent US9464044 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JH0
More data for this
Ligand-Target Pair