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BDBM50355739 CHEMBL1911152

SMILES: CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1

InChI Key: InChIKey=RVDUZNHKCJRYQY-HSZRJFAPSA-N

Data: 2 KI  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50355739   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355739
PNG
(CHEMBL1911152)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C27H26N4O3S/c1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)29-21)27(3,4)25(32)30-26-31-28-15-35-26/h5-16,23H,1-4H3,(H,30,31,32)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

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Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355739
PNG
(CHEMBL1911152)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C27H26N4O3S/c1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)29-21)27(3,4)25(32)30-26-31-28-15-35-26/h5-16,23H,1-4H3,(H,30,31,32)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
310n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of fluorescently labeled ligand from progesterone receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355739
PNG
(CHEMBL1911152)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C27H26N4O3S/c1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)29-21)27(3,4)25(32)30-26-31-28-15-35-26/h5-16,23H,1-4H3,(H,30,31,32)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

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Article
PubMed
n/an/an/an/a 18.1n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor alpha in phorbol myristate acetate-stimulated human A549 cells assessed as inhibition of AP1 resp...


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355739
PNG
(CHEMBL1911152)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C27H26N4O3S/c1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)29-21)27(3,4)25(32)30-26-31-28-15-35-26/h5-16,23H,1-4H3,(H,30,31,32)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 77n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at GR-alpha in human NP1 Hela cells assessed as inhibition of GAL4-DBD after 20 hrs by luciferase reporter gene assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355739
PNG
(CHEMBL1911152)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C27H26N4O3S/c1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)29-21)27(3,4)25(32)30-26-31-28-15-35-26/h5-16,23H,1-4H3,(H,30,31,32)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 135n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at GR-alpha in human NP1 Hela cells assessed as induction of GAL4-DBD after 20 hrs by luciferase reporter gene assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355739
PNG
(CHEMBL1911152)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C27H26N4O3S/c1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)29-21)27(3,4)25(32)30-26-31-28-15-35-26/h5-16,23H,1-4H3,(H,30,31,32)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 107n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor alpha human 13D3/Huh7 cells assessed as induction of TAT activity after 4 hrs by spectrophotometr...


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair