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BDBM50144435 1-methyl-5-[2'-oxospiro[cyclohexane-1,3'-(2',3'-dihydro-1'H-indole)]-5-yl]-1H-2-pyrrolecarbonitrile::5-(spiro[cyclohexane-1,3'-[3H]indole]-2'-oxo-5'-yl)-1H-pyrrole-1-methyl-2-carbonitrile::CHEMBL305298

SMILES: Cn1c(ccc1-c1ccc2NC(=O)C3(CCCCC3)c2c1)C#N

InChI Key: InChIKey=WMIPEGGWIZEEMY-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 50144435   
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))
BDBM50144435
PNG
(1-methyl-5-[2'-oxospiro[cyclohexane-1,3'-(2',3'-di...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C19H19N3O/c1-22-14(12-20)6-8-17(22)13-5-7-16-15(11-13)19(18(23)21-16)9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,21,23)
PDB

KEGG

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PC sid
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Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Ability to block progesterone induced alkaline phosphatase activity in T47D human breast cancer cell line


Bioorg Med Chem Lett 14: 2185-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.054
BindingDB Entry DOI: 10.7270/Q2X34Z1K
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50144435
PNG
(1-methyl-5-[2'-oxospiro[cyclohexane-1,3'-(2',3'-di...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C19H19N3O/c1-22-14(12-20)6-8-17(22)13-5-7-16-15(11-13)19(18(23)21-16)9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human PR expressed in human T47D cells assessed as stimulation of alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50144435
PNG
(1-methyl-5-[2'-oxospiro[cyclohexane-1,3'-(2',3'-di...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C19H19N3O/c1-22-14(12-20)6-8-17(22)13-5-7-16-15(11-13)19(18(23)21-16)9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50144435
PNG
(1-methyl-5-[2'-oxospiro[cyclohexane-1,3'-(2',3'-di...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C19H19N3O/c1-22-14(12-20)6-8-17(22)13-5-7-16-15(11-13)19(18(23)21-16)9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 2.80n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic activity measures the ability to induce alkaline phosphatase in T47D human breast cancer cell line


Bioorg Med Chem Lett 14: 2185-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.054
BindingDB Entry DOI: 10.7270/Q2X34Z1K
More data for this
Ligand-Target Pair