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BDBM50129166 9-Chloro-7-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::9-chloro-7-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-chromeno[3,4-f]quinoline::CHEMBL65743

SMILES: CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Cl)cc-34)c12

InChI Key: InChIKey=JAPBAKGEKZXGRM-UHFFFAOYSA-N

Data: 2 KI  2 IC50  1 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 = 50129166   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50129166
PNG
(9-Chloro-7-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Cl)cc-34)c12 |t:1|
Show InChI InChI=1S/C19H17ClFNO/c1-10-8-19(2,3)22-16-5-4-12-13-6-11(20)7-15(21)18(13)23-9-14(12)17(10)16/h4-8,22H,9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
5.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding towards human progesterone receptor


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129166
PNG
(9-Chloro-7-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Cl)cc-34)c12 |t:1|
Show InChI InChI=1S/C19H17ClFNO/c1-10-8-19(2,3)22-16-5-4-12-13-6-11(20)7-15(21)18(13)23-9-14(12)17(10)16/h4-8,22H,9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Scientific Computing Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from Progesterone receptor


J Med Chem 49: 4261-8 (2006)


Article DOI: 10.1021/jm060234e
BindingDB Entry DOI: 10.7270/Q2V69NB6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129166
PNG
(9-Chloro-7-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Cl)cc-34)c12 |t:1|
Show InChI InChI=1S/C19H17ClFNO/c1-10-8-19(2,3)22-16-5-4-12-13-6-11(20)7-15(21)18(13)23-9-14(12)17(10)16/h4-8,22H,9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 14n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for antagonistic activity towards human progesterone in CV-1 cells


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50129166
PNG
(9-Chloro-7-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Cl)cc-34)c12 |t:1|
Show InChI InChI=1S/C19H17ClFNO/c1-10-8-19(2,3)22-16-5-4-12-13-6-11(20)7-15(21)18(13)23-9-14(12)17(10)16/h4-8,22H,9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 753n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of antagonist activity towards glucocorticoid (hGR) receptor


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50129166
PNG
(9-Chloro-7-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Cl)cc-34)c12 |t:1|
Show InChI InChI=1S/C19H17ClFNO/c1-10-8-19(2,3)22-16-5-4-12-13-6-11(20)7-15(21)18(13)23-9-14(12)17(10)16/h4-8,22H,9H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 428n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of antagonist activity towards human Androgen receptor


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair