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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'fagart' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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KEGG

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CHEMBL
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MCE
KEGG
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PC cid
PC sid
PDB
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DrugBank
PDB
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Université P. et M. Curie

Curated by ChEMBL


Assay Description
Inhibition of 10e-9 M aldosterone activity in CV-1 cells expressing mineralocorticoid receptor


J Med Chem 39: 2860-4 (1996)


Article DOI: 10.1021/jm9601359
BindingDB Entry DOI: 10.7270/Q2NK3D48
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50407855
PNG
(CHEMBL2112397)
Show SMILES CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N |r,t:10|
Show InChI InChI=1S/C22H28N2O3/c1-13(25)17-5-6-19-16-4-3-14-11-15(26)7-9-21(14,2)18(16)8-10-22(17,19)20(27)12-24-23/h11-12,16-19H,3-10H2,1-2H3/t16-,17?,18+,19+,21?,22?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Université P. et M. Curie

Curated by ChEMBL


Assay Description
Inhibition of 10e-9 M aldosterone activity in CV-1 cells expressing mineralocorticoid receptor


J Med Chem 39: 2860-4 (1996)


Article DOI: 10.1021/jm9601359
BindingDB Entry DOI: 10.7270/Q2NK3D48
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50407856
PNG
(CHEMBL2112398)
Show SMILES C[C@@H](O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N |r,t:10|
Show InChI InChI=1S/C22H30N2O3/c1-13(25)17-5-6-19-16-4-3-14-11-15(26)7-9-21(14,2)18(16)8-10-22(17,19)20(27)12-24-23/h11-13,16-19,25H,3-10H2,1-2H3/t13-,16-,17?,18+,19+,21?,22?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Université P. et M. Curie

Curated by ChEMBL


Assay Description
Inhibition of 10e-9 M aldosterone activity in CV-1 cells expressing mineralocorticoid receptor


J Med Chem 39: 2860-4 (1996)


Article DOI: 10.1021/jm9601359
BindingDB Entry DOI: 10.7270/Q2NK3D48
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50422147
PNG
(CHEMBL97531)
Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)[CH-][N+]#N |t:8|
Show InChI InChI=1S/C21H28N2O2/c1-20-9-7-14(24)11-13(20)3-4-15-16-5-6-18(19(25)12-23-22)21(16,2)10-8-17(15)20/h11-12,15-18H,3-10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.740n/an/an/an/an/a



Université P. et M. Curie

Curated by ChEMBL


Assay Description
Affinity for recombinant Mineralocorticoid receptor


J Med Chem 39: 2860-4 (1996)


Article DOI: 10.1021/jm9601359
BindingDB Entry DOI: 10.7270/Q2NK3D48
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50407856
PNG
(CHEMBL2112398)
Show SMILES C[C@@H](O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N |r,t:10|
Show InChI InChI=1S/C22H30N2O3/c1-13(25)17-5-6-19-16-4-3-14-11-15(26)7-9-21(14,2)18(16)8-10-22(17,19)20(27)12-24-23/h11-13,16-19,25H,3-10H2,1-2H3/t13-,16-,17?,18+,19+,21?,22?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 20n/an/an/an/an/a



Université P. et M. Curie

Curated by ChEMBL


Assay Description
Affinity for recombinant Mineralocorticoid receptor


J Med Chem 39: 2860-4 (1996)


Article DOI: 10.1021/jm9601359
BindingDB Entry DOI: 10.7270/Q2NK3D48
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50407855
PNG
(CHEMBL2112397)
Show SMILES CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N |r,t:10|
Show InChI InChI=1S/C22H28N2O3/c1-13(25)17-5-6-19-16-4-3-14-11-15(26)7-9-21(14,2)18(16)8-10-22(17,19)20(27)12-24-23/h11-12,16-19H,3-10H2,1-2H3/t16-,17?,18+,19+,21?,22?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 20n/an/an/an/an/a



Université P. et M. Curie

Curated by ChEMBL


Assay Description
Affinity for recombinant Mineralocorticoid receptor


J Med Chem 39: 2860-4 (1996)


Article DOI: 10.1021/jm9601359
BindingDB Entry DOI: 10.7270/Q2NK3D48
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/an/a 0.390n/an/an/an/an/a



Université P. et M. Curie

Curated by ChEMBL


Assay Description
Affinity for recombinant Mineralocorticoid receptor


J Med Chem 39: 2860-4 (1996)


Article DOI: 10.1021/jm9601359
BindingDB Entry DOI: 10.7270/Q2NK3D48
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)