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BDBM50348309 CHEMBL1800134

SMILES: Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(O)(CC1)CC2

InChI Key: InChIKey=BAGSDLHAZBBSOF-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50348309   
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))
BDBM50348309
PNG
(CHEMBL1800134)
Show SMILES Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H22ClN3O2/c1-14-15(22)4-2-5-16(14)27-17-6-3-13-25-18(17)23-24-19(25)20-7-10-21(26,11-8-20)12-9-20/h2-6,13,26H,7-12H2,1H3
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD-1 expressed in HEK293 cells assessed as [3H]cortisol level by scintillation proximity assay


Bioorg Med Chem Lett 21: 4146-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.101
BindingDB Entry DOI: 10.7270/Q24F1R2Q
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50348309
PNG
(CHEMBL1800134)
Show SMILES Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H22ClN3O2/c1-14-15(22)4-2-5-16(14)27-17-6-3-13-25-18(17)23-24-19(25)20-7-10-21(26,11-8-20)12-9-20/h2-6,13,26H,7-12H2,1H3
KEGG

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PC sid
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Article
PubMed
n/an/a 2.52E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD-2


Bioorg Med Chem Lett 21: 4146-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.101
BindingDB Entry DOI: 10.7270/Q24F1R2Q
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50348309
PNG
(CHEMBL1800134)
Show SMILES Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H22ClN3O2/c1-14-15(22)4-2-5-16(14)27-17-6-3-13-25-18(17)23-24-19(25)20-7-10-21(26,11-8-20)12-9-20/h2-6,13,26H,7-12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Transactivation of PXR


Bioorg Med Chem Lett 21: 4146-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.101
BindingDB Entry DOI: 10.7270/Q24F1R2Q
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50348309
PNG
(CHEMBL1800134)
Show SMILES Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H22ClN3O2/c1-14-15(22)4-2-5-16(14)27-17-6-3-13-25-18(17)23-24-19(25)20-7-10-21(26,11-8-20)12-9-20/h2-6,13,26H,7-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD-1


Bioorg Med Chem Lett 21: 4146-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.101
BindingDB Entry DOI: 10.7270/Q24F1R2Q
More data for this
Ligand-Target Pair