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BDBM50355741 CHEMBL1911284

SMILES: CN(C)C(=O)c1ccc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1

InChI Key: InChIKey=RRJCMPKAIDWRSK-UHFFFAOYSA-N

Data: 1 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 5 hits for monomerid = 50355741   
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))
BDBM50355741
PNG
(CHEMBL1911284)
Show SMILES CN(C)C(=O)c1ccc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H25N5O3S/c1-27(2,25(34)30-26-31-29-15-36-26)23-18-7-5-6-8-21(18)35-22-13-16(9-11-19(22)23)20-12-10-17(14-28-20)24(33)32(3)4/h5-15,23H,1-4H3,(H,30,31,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.10n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355741
PNG
(CHEMBL1911284)
Show SMILES CN(C)C(=O)c1ccc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H25N5O3S/c1-27(2,25(34)30-26-31-29-15-36-26)23-18-7-5-6-8-21(18)35-22-13-16(9-11-19(22)23)20-12-10-17(14-28-20)24(33)32(3)4/h5-15,23H,1-4H3,(H,30,31,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 58n/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))
BDBM50355741
PNG
(CHEMBL1911284)
Show SMILES CN(C)C(=O)c1ccc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H25N5O3S/c1-27(2,25(34)30-26-31-29-15-36-26)23-18-7-5-6-8-21(18)35-22-13-16(9-11-19(22)23)20-12-10-17(14-28-20)24(33)32(3)4/h5-15,23H,1-4H3,(H,30,31,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 162n/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))
BDBM50355741
PNG
(CHEMBL1911284)
Show SMILES CN(C)C(=O)c1ccc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H25N5O3S/c1-27(2,25(34)30-26-31-29-15-36-26)23-18-7-5-6-8-21(18)35-22-13-16(9-11-19(22)23)20-12-10-17(14-28-20)24(33)32(3)4/h5-15,23H,1-4H3,(H,30,31,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 382n/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))
BDBM50355741
PNG
(CHEMBL1911284)
Show SMILES CN(C)C(=O)c1ccc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H25N5O3S/c1-27(2,25(34)30-26-31-29-15-36-26)23-18-7-5-6-8-21(18)35-22-13-16(9-11-19(22)23)20-12-10-17(14-28-20)24(33)32(3)4/h5-15,23H,1-4H3,(H,30,31,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>5.00E+3n/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