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BDBM50324201 4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl]-2-ethoxybenzoic Acid::CHEMBL1215197

SMILES: CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=JGKCAKXTJGJFBV-ANBDAQEENA-N

Data: 9 IC50

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 9 hits for monomerid = 50324201   
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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50324201
PNG
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)
Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/s2
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PC sid
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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay


J Med Chem 57: 4273-88 (2014)


Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324201
PNG
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)
Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/s2
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Article
PubMed
n/an/a 2.01E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay


J Med Chem 57: 4273-88 (2014)


Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324201
PNG
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)
Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor (unknown origin) by Gal4-based cellular assay


J Med Chem 57: 4273-88 (2014)


Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50324201
PNG
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)
Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/s2
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor (unknown origin) by Gal4-based cellular assay


J Med Chem 57: 4273-88 (2014)


Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50324201
PNG
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)
Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/s2
PDB

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GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a>4.96E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor


J Med Chem 53: 5979-6002 (2010)


Article DOI: 10.1021/jm100505n
BindingDB Entry DOI: 10.7270/Q2T43V2T
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50324201
PNG
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)
Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/s2
PDB
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor


J Med Chem 53: 5979-6002 (2010)


Article DOI: 10.1021/jm100505n
BindingDB Entry DOI: 10.7270/Q2T43V2T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324201
PNG
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)
Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/s2
PDB

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B.MOAD
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor


J Med Chem 53: 5979-6002 (2010)


Article DOI: 10.1021/jm100505n
BindingDB Entry DOI: 10.7270/Q2T43V2T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324201
PNG
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)
Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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UniChem

Similars

Article
PubMed
n/an/a 2.01E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


J Med Chem 53: 5979-6002 (2010)


Article DOI: 10.1021/jm100505n
BindingDB Entry DOI: 10.7270/Q2T43V2T
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50324201
PNG
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)
Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay


J Med Chem 53: 5979-6002 (2010)


Article DOI: 10.1021/jm100505n
BindingDB Entry DOI: 10.7270/Q2T43V2T
More data for this
Ligand-Target Pair