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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'pallin' and Initial = 'td'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559562
PNG
(CHEMBL4762834)
Show SMILES Cn1c(CNC(=O)C2(CC(O)=O)Cc3ccccc3C2)nc2ccccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
Article
PubMed
1.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559561
PNG
(CHEMBL4760006)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1coc2ccccc12
PDB
MMDB

KEGG

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UniChem
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3.13E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559558
PNG
(CHEMBL4764936)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1cc2ccccc2s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
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4.06E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559551
PNG
(CHEMBL4758612)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nc(cs1)-c1ccccc1
PDB
MMDB

KEGG

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UniChem
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559577
PNG
(CHEMBL4797456)
Show SMILES Cc1ccccc1OCC(=O)N(CCC(O)=O)Cc1cccc(F)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559576
PNG
(CHEMBL4794850)
Show SMILES CC(NC(=O)CC1(Cc2ccccc2C1)C(O)=O)c1cc2ccccc2o1
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559575
PNG
(CHEMBL4798439)
Show SMILES Cc1ccc2oc(CNC(=O)CC3(Cc4ccccc4C3)C(O)=O)cc2c1
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559574
PNG
(CHEMBL4785438)
Show SMILES Cc1ccc2oc(CNC(=O)C3(CC(O)=O)Cc4ccccc4C3)cc2c1
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559573
PNG
(CHEMBL4741361)
Show SMILES Cn1cc(CNC(=O)CC2(Cc3ccccc3C2)C(O)=O)cn1
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559572
PNG
(CHEMBL4747047)
Show SMILES Cn1cc(CNC(=O)C2(CC(O)=O)Cc3ccccc3C2)cn1
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559571
PNG
(CHEMBL4793389)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1ccc2ccccc2n1
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559570
PNG
(CHEMBL4760832)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1ccccc1
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559569
PNG
(CHEMBL4761199)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1cc2ccccc2o1
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559568
PNG
(CHEMBL4748733)
Show SMILES C[C@H](NC(=O)C1(CC(O)=O)Cc2ccccc2C1)c1cc2ccccc2o1 |r|
PDB
MMDB

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559567
PNG
(CHEMBL4760989)
Show SMILES C[C@@H](NC(=O)C1(CC(O)=O)Cc2ccccc2C1)c1cc2ccccc2o1 |r|
PDB
MMDB

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UniProtKB/SwissProt

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559566
PNG
(CHEMBL4749721)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1cc2ccccc2s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559565
PNG
(CHEMBL4776453)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1cc2ccccc2[nH]1
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559564
PNG
(CHEMBL4746167)
Show SMILES Cn1c(CNC(=O)C2(CC(O)=O)Cc3ccccc3C2)cc2ccccc12
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559563
PNG
(CHEMBL4776454)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nc2ccccc2[nH]1
PDB
MMDB

KEGG

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559552
PNG
(CHEMBL4776002)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nc2ccccc2s1
PDB
MMDB

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559560
PNG
(CHEMBL4756804)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1c[nH]c2ccccc12
PDB
MMDB

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UniChem
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559559
PNG
(CHEMBL4746129)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1cc2ccccc2o1
PDB
MMDB

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559557
PNG
(CHEMBL4794689)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1cc2ccccc2[nH]1
PDB
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559556
PNG
(CHEMBL4749889)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1nc2ccccc2[nH]1
PDB
MMDB

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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559555
PNG
(CHEMBL4745988)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1nc2ccccc2s1
PDB
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559554
PNG
(CHEMBL4751454)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nccs1
PDB
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559553
PNG
(CHEMBL4745918)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1ncc(s1)-c1ccccc1
PDB
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559578
PNG
(CHEMBL4751618)
Show SMILES Cc1cc(Br)ccc1C(=O)NC1=NC(=O)CN1 |t:12|
PDB
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319324
PNG
(1-(3,4-dimethoxyphenyl)-2-(1-m-tolyl-1H-tetrazol-5...)
Show SMILES COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1cccc(C)c1
Show InChI InChI=1S/C19H19N3O3S/c1-13-5-4-6-15(9-13)22-19(11-20-21-22)26-12-16(23)14-7-8-17(24-2)18(10-14)25-3/h4-11H,12H2,1-3H3
PDB
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Similars

Article
PubMed
n/an/a 93n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319333
PNG
(3-(1-(3-chlorophenyl)-1H-tetrazol-5-yl)-1-phenylpr...)
Show SMILES Clc1cccc(c1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-7-4-8-15(11-14)21-16(12-19-20-21)9-10-17(22)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2
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n/an/a 114n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319316
PNG
(1-(3,4-dimethoxyphenyl)-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccccc1
Show InChI InChI=1S/C18H17N3O3S/c1-23-16-9-8-13(10-17(16)24-2)15(22)12-25-18-11-19-20-21(18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 116n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319331
PNG
(2-(1-cyclohexyl-1H-tetrazol-5-ylthio)-1-(3,4-dimet...)
Show SMILES COc1ccc(cc1OC)C(=O)CSc1cnnn1C1CCCCC1
Show InChI InChI=1S/C18H23N3O3S/c1-23-16-9-8-13(10-17(16)24-2)15(22)12-25-18-11-19-20-21(18)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3
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n/an/a 183n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319360
PNG
(1-(3-methoxyphenyl)-3-(1-phenyl-1H-tetrazol-5-yl)p...)
Show SMILES COc1cccc(c1)C(=O)CCc1cnnn1-c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-23-17-9-5-6-14(12-17)18(22)11-10-16-13-19-20-21(16)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3
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n/an/a 215n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319310
PNG
(3,3-dimethyl-1-(1-phenyl-1H-tetrazol-5-ylthio)buta...)
Show SMILES CC(C)(C)C(=O)CSc1cnnn1-c1ccccc1
Show InChI InChI=1S/C14H17N3OS/c1-14(2,3)12(18)10-19-13-9-15-16-17(13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
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n/an/a 252n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319311
PNG
(1-phenyl-2-(1-phenyl-1H-tetrazol-5-ylthio)ethanone...)
Show SMILES O=C(CSc1cnnn1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c20-15(13-7-3-1-4-8-13)12-21-16-11-17-18-19(16)14-9-5-2-6-10-14/h1-11H,12H2
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n/an/a 257n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319317
PNG
(1-phenyl-3-(1-phenyl-1H-tetrazol-5-ylthio)propan-2...)
Show SMILES O=C(CSc1cnnn1-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C17H15N3OS/c21-16(11-14-7-3-1-4-8-14)13-22-17-12-18-19-20(17)15-9-5-2-6-10-15/h1-10,12H,11,13H2
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n/an/a 289n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319343
PNG
(3-(1-(3-methoxyphenyl)-1H-tetrazol-5-yl)-1-phenylp...)
Show SMILES COc1cccc(c1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-23-17-9-5-8-15(12-17)21-16(13-19-20-21)10-11-18(22)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3
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n/an/a 304n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319358
PNG
(1-(3-chlorophenyl)-3-(1-phenyl-1H-tetrazol-5-yl)pr...)
Show SMILES Clc1cccc(c1)C(=O)CCc1cnnn1-c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-6-4-5-13(11-14)17(22)10-9-16-12-19-20-21(16)15-7-2-1-3-8-15/h1-8,11-12H,9-10H2
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n/an/a 310n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319341
PNG
(1-phenyl-3-(1-phenyl-1H-tetrazol-5-yl)propan-1-one...)
Show SMILES O=C(CCc1cnnn1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H15N3O/c21-17(14-7-3-1-4-8-14)12-11-16-13-18-19-20(16)15-9-5-2-6-10-15/h1-10,13H,11-12H2
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n/an/a 359n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319344
PNG
(3-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)-1-phenylp...)
Show SMILES COc1ccc(cc1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-23-17-10-7-15(8-11-17)21-16(13-19-20-21)9-12-18(22)14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3
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n/an/a 426n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319318
PNG
(1-(furan-2-yl)-2-(1-phenyl-1H-tetrazol-5-ylthio)et...)
Show SMILES O=C(CSc1cnnn1-c1ccccc1)c1ccco1
Show InChI InChI=1S/C14H11N3O2S/c18-12(13-7-4-8-19-13)10-20-14-9-15-16-17(14)11-5-2-1-3-6-11/h1-9H,10H2
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n/an/a 485n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319365
PNG
(3-(5-(4-methoxyphenyl)-1H-tetrazol-1-yl)-1-phenylp...)
Show SMILES COc1ccc(cc1)-c1nnnn1CCC(=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-15-9-7-14(8-10-15)17-18-19-20-21(17)12-11-16(22)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
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n/an/a 493n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319362
PNG
(1-cyclohexyl-3-(1-phenyl-1H-tetrazol-5-yl)propan-1...)
Show SMILES O=C(CCc1nnnn1-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C16H20N4O/c21-15(13-7-3-1-4-8-13)11-12-16-17-18-19-20(16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
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n/an/a 506n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319359
PNG
(1-(4-dichlorophenyl)-3-(1-phenyl-1H-tetrazol-5-yl)...)
Show SMILES Clc1ccc(cc1)C(=O)CCc1cnnn1-c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-8-6-13(7-9-14)17(22)11-10-16-12-19-20-21(16)15-4-2-1-3-5-15/h1-9,12H,10-11H2
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n/an/a 539n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319332
PNG
(3-(1-(4-chlorophenyl)-1H-tetrazol-5-yl)-1-phenylpr...)
Show SMILES Clc1ccc(cc1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-6-8-15(9-7-14)21-16(12-19-20-21)10-11-17(22)13-4-2-1-3-5-13/h1-9,12H,10-11H2
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n/an/a 575n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319334
PNG
(1-phenyl-3-(1-p-tolyl-1H-tetrazol-5-yl)propan-1-on...)
Show SMILES Cc1ccc(cc1)-n1nncc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O/c1-14-7-9-16(10-8-14)21-17(13-19-20-21)11-12-18(22)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3
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n/an/a 588n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319356
PNG
(1-(3-fluorophenyl)-3-(1-phenyl-1H-tetrazol-5-yl)pr...)
Show SMILES Fc1cccc(c1)C(=O)CCc1cnnn1-c1ccccc1
Show InChI InChI=1S/C17H14FN3O/c18-14-6-4-5-13(11-14)17(22)10-9-16-12-19-20-21(16)15-7-2-1-3-8-15/h1-8,11-12H,9-10H2
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n/an/a 597n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319336
PNG
(1-phenyl-3-(1-o-tolyl-1H-tetrazol-5-yl)propan-1-on...)
Show SMILES Cc1ccccc1-n1nnnc1CCC(=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-13-7-5-6-10-15(13)21-17(18-19-20-21)12-11-16(22)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
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n/an/a 683n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319345
PNG
(4-(5-(3-oxo-3-phenylpropyl)-1H-tetrazol-1-yl)benzo...)
Show SMILES O=C(CCc1cnnn1-c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C18H14N4O/c19-12-14-6-8-16(9-7-14)22-17(13-20-21-22)10-11-18(23)15-4-2-1-3-5-15/h1-9,13H,10-11H2
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n/an/a 686n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319366
PNG
(3-(5-(benzo[d][1,3]dioxol-5-yl)-1H-tetrazol-1-yl)-...)
Show SMILES O=C(CCn1nnnc1-c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c22-14(12-4-2-1-3-5-12)8-9-21-17(18-19-20-21)13-6-7-15-16(10-13)24-11-23-15/h1-7,10H,8-9,11H2
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n/an/a 722n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3265-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.055
BindingDB Entry DOI: 10.7270/Q2ZS2WPQ
More data for this
Ligand-Target Pair
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