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Compile Data Set for Download or QSAR

Found 7 hits of kd data for polymerid = 6202   
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))
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1/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+/s2
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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)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM13775
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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Article
PubMed
n/an/an/a 0.5n/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to MR (unknown origin)


J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50170653
PNG
((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/s2
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PubMed
n/an/an/a 0.5n/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to MR (unknown origin)


J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM19214
PNG
((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)
Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/an/a 0.5n/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to MR (unknown origin)


J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50422147
PNG
(CHEMBL97531)
Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)[CH-][N+]#N
Show InChI InChI=1/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
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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
Show InChI InChI=1/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?/s2
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PC cid
PC sid
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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
Show InChI InChI=1/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?/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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