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7 similar compounds to monomer 186151

Compile data set for download or QSAR
Wt: 456.9
BDBM186159
Wt: 456.9
BDBM186142
Wt: 424.4
BDBM186143
Wt: 424.4
BDBM186144
Wt: 438.5
BDBM186145
Wt: 458.9
BDBM186150
Wt: 472.9
BDBM186154

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 186159,186142,186143,186144,186145,186150,186154   
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))
BDBM186142
PNG
(US9163012, 59)
Show SMILES Cc1nc2cccc(Cl)c2n1[C@@H]1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C24H29ClN4O3/c1-13-27-19-4-2-3-18(25)20(19)29(13)17-5-6-28(12-17)23(31)32-21-15-7-14-8-16(21)11-24(9-14,10-15)22(26)30/h2-4,14-17,21H,5-12H2,1H3,(H2,26,30)/t14?,15?,16?,17-,21?,24?/m1/s1
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US Patent
n/an/a 1.92n/an/an/an/an/a25



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM186143
PNG
(US9163012, 60)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)n1c4ccccc4[nH]c1=O)C(C3)C2
Show InChI InChI=1S/C23H28N4O4/c24-20(28)23-9-13-7-14(10-23)19(15(8-13)11-23)31-22(30)26-6-5-16(12-26)27-18-4-2-1-3-17(18)25-21(27)29/h1-4,13-16,19H,5-12H2,(H2,24,28)(H,25,29)/t13?,14?,15?,16-,19-,23-/m0/s1
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US Patent
n/an/a 0.760n/an/an/an/an/a25



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM186144
PNG
(US9163012, 61)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4ccccc4[nH]c1=O)C(C3)C2
Show InChI InChI=1S/C23H28N4O4/c24-20(28)23-9-13-7-14(10-23)19(15(8-13)11-23)31-22(30)26-6-5-16(12-26)27-18-4-2-1-3-17(18)25-21(27)29/h1-4,13-16,19H,5-12H2,(H2,24,28)(H,25,29)/t13?,14?,15?,16-,19-,23-/m1/s1
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n/an/a 4.17n/an/an/an/an/a25



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM186159
PNG
(US9163012, 76)
Show SMILES Cc1nc2cccc(Cl)c2n1[C@H]1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C24H29ClN4O3/c1-13-27-19-4-2-3-18(25)20(19)29(13)17-5-6-28(12-17)23(31)32-21-15-7-14-8-16(21)11-24(9-14,10-15)22(26)30/h2-4,14-17,21H,5-12H2,1H3,(H2,26,30)/t14?,15?,16?,17-,21?,24?/m0/s1
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n/an/a 1.11n/an/an/an/an/a25



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM186150
PNG
(US9163012, 67)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)n1c4c(Cl)cccc4[nH]c1=O)C(C3)C2
Show InChI InChI=1S/C23H27ClN4O4/c24-16-2-1-3-17-18(16)28(21(30)26-17)15-4-5-27(11-15)22(31)32-19-13-6-12-7-14(19)10-23(8-12,9-13)20(25)29/h1-3,12-15,19H,4-11H2,(H2,25,29)(H,26,30)/t12?,13?,14?,15-,19-,23-/m0/s1
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n/an/a 0.680n/an/an/an/an/a25



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM186154
PNG
(US9163012, 71)
Show SMILES Cn1c2cccc(Cl)c2n([C@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O
Show InChI InChI=1S/C24H29ClN4O4/c1-27-18-4-2-3-17(25)19(18)29(22(27)31)16-5-6-28(12-16)23(32)33-20-14-7-13-8-15(20)11-24(9-13,10-14)21(26)30/h2-4,13-16,20H,5-12H2,1H3,(H2,26,30)/t13?,14?,15?,16-,20-,24-/m0/s1
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US Patent
n/an/a 0.670n/an/an/an/an/a25



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM186145
PNG
(US9163012, 62)
Show SMILES Cn1c2ccccc2n([C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O
Show InChI InChI=1S/C24H30N4O4/c1-26-18-4-2-3-5-19(18)28(22(26)30)17-6-7-27(13-17)23(31)32-20-15-8-14-9-16(20)12-24(10-14,11-15)21(25)29/h2-5,14-17,20H,6-13H2,1H3,(H2,25,29)/t14?,15?,16?,17-,20-,24-/m1/s1
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n/an/a 3.07n/an/an/an/an/a25



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair