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Compile Data Set for Download or QSAR

Found 25 hits of ki for UniProtKB: P22199   
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


(RAT)
BDBM50004519
PNG
(CHEMBL2181929)
Show SMILES CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3
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31n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50318300
PNG
(CHEMBL1095097 | EPLERENONE | SC-66110)
Show SMILES COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |r,t:6|
Show InChI InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
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44n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor


(RAT)
BDBM50597084
PNG
(CHEMBL5174401)
Show SMILES CC1Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597083
PNG
(CHEMBL5171957)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C(Oc2c1)c1ccccc1)c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597078
PNG
(CHEMBL5181002)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(Cc1ccccc1)c1ccccc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597087
PNG
(CHEMBL5181278)
Show SMILES CC1(C)CN(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2O1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM86690
PNG
(A 348441 | A-348441)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21 |r,c:18,t:11|
Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1
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440n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597085
PNG
(CHEMBL5183454)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CC3)Oc2c1)c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597081
PNG
(CHEMBL5184647)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccc(F)cc1
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596n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597086
PNG
(CHEMBL5187656)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CCC3)Oc2c1)c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c1ccc(cc1)N(C)C |c:18,t:11|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3
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Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 191-200 (2005)


Article DOI: 10.1124/jpet.104.081257
BindingDB Entry DOI: 10.7270/Q2FT8J68
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597076
PNG
(CHEMBL5176336)
Show SMILES CN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597080
PNG
(CHEMBL5207249)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1
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1.24E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597077
PNG
(CHEMBL5172350)
Show SMILES CCN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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1.56E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597082
PNG
(CHEMBL5204612)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)COc2c1)c1ccc(F)cc1
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1.75E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597068
PNG
(CHEMBL5201004)
Show SMILES CC(C)(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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1.96E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597070
PNG
(CHEMBL5186524)
Show SMILES CCS(=O)(=O)Nc1ccc(cc1)C(C)(C)c1ccccc1
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3.77E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597073
PNG
(CHEMBL5182687)
Show SMILES CNS(=O)(=O)c1ccc(cc1)C(C)(C)c1ccccc1
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4.31E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597079
PNG
(CHEMBL5207123)
Show SMILES CC(=O)c1ccc(cc1)N(Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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5.67E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597071
PNG
(CHEMBL5191961)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(cc1)C(C)(C)c1ccccc1
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6.88E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597074
PNG
(CHEMBL5197264)
Show SMILES CC(C)(c1ccccc1)c1cccc(NS(C)(=O)=O)c1
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1.20E+4n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597075
PNG
(CHEMBL5186231)
Show SMILES CS(=O)(=O)Nc1ccc(Nc2ccccc2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597069
PNG
(CHEMBL5208644)
Show SMILES CC(C)(c1ccccc1)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597067
PNG
(CHEMBL5182675)
Show SMILES CC(=O)Nc1ccc(cc1)C(C)(C)c1ccccc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(RAT)
BDBM50597072
PNG
(CHEMBL5173089)
Show SMILES CC(C)(c1ccccc1)c1ccc(cc1)S(N)(=O)=O
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00402
BindingDB Entry DOI: 10.7270/Q2571H1M
More data for this
Ligand-Target Pair