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2 similar compounds to monomer 50317220

Compile data set for download or QSAR
Wt: 372.9
BDBM50317219
Wt: 363.4
BDBM50317221

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50317219,50317221   
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))
BDBM50317221
PNG
((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1


Bioorg Med Chem Lett 20: 2897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50317219
PNG
((2R)-N-(adamantan-2-yl)-1-[(4-chlorophenyl)methyl]...)
Show SMILES Clc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1
Show InChI InChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1


Bioorg Med Chem Lett 20: 2897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50317219
PNG
((2R)-N-(adamantan-2-yl)-1-[(4-chlorophenyl)methyl]...)
Show SMILES Clc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1
Show InChI InChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1


Bioorg Med Chem Lett 20: 2897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50317221
PNG
((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1
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170n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse 11-beta-HSD1


Bioorg Med Chem Lett 20: 2897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50317219
PNG
((2R)-N-(adamantan-2-yl)-1-[(4-chlorophenyl)methyl]...)
Show SMILES Clc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1
Show InChI InChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50317221
PNG
((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1
PDB
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PC cid
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Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2897-902 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ
More data for this
Ligand-Target Pair