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BDBM50086548 3,5-Dimethyl-4-(2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl)-thiophene-2-carbonitrile::3,5-dimethyl-4-(2,2,4-trimethyl-1,2-dihydroquinolin-6-yl)thiophene-2-carbonitrile::CHEMBL334890

SMILES: Cc1sc(C#N)c(C)c1-c1ccc2NC(C)(C)C=C(C)c2c1

InChI Key: InChIKey=PPWIAXBZZBHOPE-UHFFFAOYSA-N

Data: 1 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 4 hits for monomerid = 50086548   
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))
BDBM50086548
PNG
(3,5-Dimethyl-4-(2,2,4-trimethyl-1,2-dihydro-quinol...)
Show SMILES Cc1sc(C#N)c(C)c1-c1ccc2NC(C)(C)C=C(C)c2c1
Show InChI InChI=1S/C19H20N2S/c1-11-9-19(4,5)21-16-7-6-14(8-15(11)16)18-12(2)17(10-20)22-13(18)3/h6-9,21H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
36n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00011-1
BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086548
PNG
(3,5-Dimethyl-4-(2,2,4-trimethyl-1,2-dihydro-quinol...)
Show SMILES Cc1sc(C#N)c(C)c1-c1ccc2NC(C)(C)C=C(C)c2c1
Show InChI InChI=1S/C19H20N2S/c1-11-9-19(4,5)21-16-7-6-14(8-15(11)16)18-12(2)17(10-20)22-13(18)3/h6-9,21H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 580n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00011-1
BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086548
PNG
(3,5-Dimethyl-4-(2,2,4-trimethyl-1,2-dihydro-quinol...)
Show SMILES Cc1sc(C#N)c(C)c1-c1ccc2NC(C)(C)C=C(C)c2c1
Show InChI InChI=1S/C19H20N2S/c1-11-9-19(4,5)21-16-7-6-14(8-15(11)16)18-12(2)17(10-20)22-13(18)3/h6-9,21H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 124n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00011-1
BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086548
PNG
(3,5-Dimethyl-4-(2,2,4-trimethyl-1,2-dihydro-quinol...)
Show SMILES Cc1sc(C#N)c(C)c1-c1ccc2NC(C)(C)C=C(C)c2c1
Show InChI InChI=1S/C19H20N2S/c1-11-9-19(4,5)21-16-7-6-14(8-15(11)16)18-12(2)17(10-20)22-13(18)3/h6-9,21H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00011-1
BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair