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PDB code 4IJW

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
11-beta-hydroxysteroid dehydrogenase 1

  (267/270 = 99%)
(Homo sapiens (Human))
BDBM50054691
PNG
(CHEMBL3318978)
Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(cccn12)C1CC1
Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay


ACS Med Chem Lett 5: 803-8 (2014)


Article DOI: 10.1021/ml500144h
BindingDB Entry DOI: 10.7270/Q2N0186W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1

  (267/270 = 99%)
(Homo sapiens (Human))
BDBM50054691
PNG
(CHEMBL3318978)
Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(cccn12)C1CC1
Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 cells


ACS Med Chem Lett 5: 803-8 (2014)


Article DOI: 10.1021/ml500144h
BindingDB Entry DOI: 10.7270/Q2N0186W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output