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Compile Data Set for Download or QSAR

Found 405 hits with Last Name = 'iijima' and Initial = 't'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50076331
PNG
(1-(hydroxymethyl)-12-(4-hydroxyphenyl)-1,12-dicarb...)
Show SMILES C[B]1234[B]567[B]89%10[B]%11%12%13[B]%14%15%16[B]15([B]2%141[B]%11%152=[C]311(CO)[B]8%122[B]4691)[C]7%10%13%16c1ccc(O)cc1
Show InChI InChI=1S/C10H11B10O2/c1-20-9(6-21)11-12(9)13(11)10(7-2-4-8(22)5-3-7)14(11,13)16(9,11,20)18(10,14,20)19(10,20)15(10,12,13)17(9,12,19)20/h2-5,21-22H,6H2,1H3
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0.100n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro inhibition of [6,7-3H]-17beta-estradiol binding to human estrogen receptor alpha


J Med Chem 42: 1501-4 (1999)


Article DOI: 10.1021/jm9900725
BindingDB Entry DOI: 10.7270/Q2H1316V
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50076330
PNG
(1-(4-hydroxyphenyl)-1,12-dicarba-closo-dodecaboran...)
Show SMILES C[B]1234[B]567[B]89%10[B]55%11[B]88%12[B]%13%14%15[B]11([B]2%132[B]365[C]%118%142c2ccc(O)cc2)[B]9%12%15=[C]47%101
Show InChI InChI=1S/C9H8B10O/c1-19-8-10-11(8)13(8,19)16(11)9(6-2-4-7(20)5-3-6)14(10,11,16)15(9,10)12(8,10,19)17(9,15,19)18(9,13,16)19/h2-5,20H,1H3
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0.400n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro inhibition of [6,7-3H]-17beta-estradiol binding to human estrogen receptor alpha


J Med Chem 42: 1501-4 (1999)


Article DOI: 10.1021/jm9900725
BindingDB Entry DOI: 10.7270/Q2H1316V
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50076332
PNG
(1-amino-12-(4-hydroxyphenyl)-1,12-dicarba-closo-do...)
Show SMILES N[C]12=34[B]567[B]89%10[B]55%11[B]%12%13%14[B]%15%16%17[B]88([B]169[B]2%158[B]=3%12%16[B]475%13)[C]%10%11%14%17c1ccc(O)cc1
Show InChI InChI=1S/C8H7B10NO/c19-8-14-9-7(5-1-3-6(20)4-2-5)10(9,14)12(7)13(7)11(7,9)15(8,9,14)17(8,11,13)18(8,12,13)16(8,10,12)14/h1-4,20H,19H2
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0.650n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro inhibition of [6,7-3H]-17beta-estradiol binding to human estrogen receptor alpha


J Med Chem 42: 1501-4 (1999)


Article DOI: 10.1021/jm9900725
BindingDB Entry DOI: 10.7270/Q2H1316V
More data for this
Ligand-Target Pair
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


(Homo sapiens (Human))
BDBM50597078
PNG
(CHEMBL5181002)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(Cc1ccccc1)c1ccccc1
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147n/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


(Homo sapiens (Human))
BDBM50597086
PNG
(CHEMBL5187656)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CCC3)Oc2c1)c1ccc(F)cc1
PDB
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152n/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


(Homo sapiens (Human))
BDBM50597084
PNG
(CHEMBL5174401)
Show SMILES CC1Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1
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160n/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


(Homo sapiens (Human))
BDBM50597087
PNG
(CHEMBL5181278)
Show SMILES CC1(C)CN(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2O1
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163n/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)
BDBM50597084
PNG
(CHEMBL5174401)
Show SMILES CC1Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1
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201n/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)
BDBM50597083
PNG
(CHEMBL5171957)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C(Oc2c1)c1ccccc1)c1ccc(F)cc1
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250n/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


(Homo sapiens (Human))
BDBM50597083
PNG
(CHEMBL5171957)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C(Oc2c1)c1ccccc1)c1ccc(F)cc1
PDB
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342n/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)
BDBM50597078
PNG
(CHEMBL5181002)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(Cc1ccccc1)c1ccccc1
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357n/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)
BDBM50597087
PNG
(CHEMBL5181278)
Show SMILES CC1(C)CN(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2O1
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370n/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)
BDBM50597085
PNG
(CHEMBL5183454)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CC3)Oc2c1)c1ccc(F)cc1
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549n/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)
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


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


(Homo sapiens (Human))
BDBM50597077
PNG
(CHEMBL5172350)
Show SMILES CCN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
PDB
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607n/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


(Homo sapiens (Human))
BDBM50597081
PNG
(CHEMBL5184647)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccc(F)cc1
PDB
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611n/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)
BDBM50597086
PNG
(CHEMBL5187656)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CCC3)Oc2c1)c1ccc(F)cc1
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626n/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


(Homo sapiens (Human))
BDBM50597076
PNG
(CHEMBL5176336)
Show SMILES CN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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735n/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


(Homo sapiens (Human))
BDBM50597068
PNG
(CHEMBL5201004)
Show SMILES CC(C)(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
PDB
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740n/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


(Homo sapiens (Human))
BDBM50597085
PNG
(CHEMBL5183454)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)C3(CC3)Oc2c1)c1ccc(F)cc1
PDB
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808n/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)
BDBM50597076
PNG
(CHEMBL5176336)
Show SMILES CN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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853n/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)
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


(Homo sapiens (Human))
BDBM50597080
PNG
(CHEMBL5207249)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1
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1.27E+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


(Homo sapiens (Human))
BDBM50597073
PNG
(CHEMBL5182687)
Show SMILES CNS(=O)(=O)c1ccc(cc1)C(C)(C)c1ccccc1
PDB
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1.37E+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


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


(Homo sapiens (Human))
BDBM50597070
PNG
(CHEMBL5186524)
Show SMILES CCS(=O)(=O)Nc1ccc(cc1)C(C)(C)c1ccccc1
PDB
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1.92E+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)
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


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)
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


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)
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


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)
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


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)
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


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)
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


TBA



Citation and Details

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


(RAT)
BDBM50597074
PNG
(CHEMBL5197264)
Show SMILES CC(C)(c1ccccc1)c1cccc(NS(C)(=O)=O)c1
PDB

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1.96E+4n/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
Glucocorticoid receptor


(RAT)
BDBM50597080
PNG
(CHEMBL5207249)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1
PDB

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2.22E+4n/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
Glucocorticoid receptor


(RAT)
BDBM50597079
PNG
(CHEMBL5207123)
Show SMILES CC(=O)c1ccc(cc1)N(Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1
PDB

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2.54E+4n/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
Glucocorticoid receptor


(RAT)
BDBM50597071
PNG
(CHEMBL5191961)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(cc1)C(C)(C)c1ccccc1
PDB

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2.90E+4n/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
Glucocorticoid receptor


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

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2.91E+4n/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
Glucocorticoid receptor


(RAT)
BDBM50597070
PNG
(CHEMBL5186524)
Show SMILES CCS(=O)(=O)Nc1ccc(cc1)C(C)(C)c1ccccc1
PDB

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3.79E+4n/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
Glucocorticoid receptor


(RAT)
BDBM50597068
PNG
(CHEMBL5201004)
Show SMILES CC(C)(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
PDB

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4.00E+4n/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
Glucocorticoid receptor


(RAT)
BDBM50597081
PNG
(CHEMBL5184647)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccc(F)cc1
PDB

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4.15E+4n/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
Glucocorticoid receptor


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

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4.32E+4n/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
Glucocorticoid receptor


(RAT)
BDBM50597077
PNG
(CHEMBL5172350)
Show SMILES CCN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
PDB

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4.50E+4n/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
Glucocorticoid receptor


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

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4.72E+4n/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
Glucocorticoid receptor


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

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5.52E+4n/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
Glucocorticoid 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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CHEMBL
MCE
PC cid
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Article
PubMed
8.42E+4n/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
Glucocorticoid receptor


(RAT)
BDBM50597082
PNG
(CHEMBL5204612)
Show SMILES CS(=O)(=O)Nc1ccc2N(C(=O)COc2c1)c1ccc(F)cc1
PDB

UniProtKB/SwissProt

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>1.00E+5n/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
Glucocorticoid receptor


(RAT)
BDBM50597075
PNG
(CHEMBL5186231)
Show SMILES CS(=O)(=O)Nc1ccc(Nc2ccccc2)cc1
PDB

UniProtKB/SwissProt

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>1.00E+5n/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
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