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10 similar compounds to monomer 50291830

Compile data set for download or QSAR
Wt: 440.7
BDBM50154003
Wt: 412.6
BDBM50154004
Wt: 384.5
BDBM50154005
Wt: 342.5
BDBM50154006
Wt: 300.4
BDBM50154007
Wt: 510.0
BDBM50014599
Wt: 315.2
BDBM50154010
Wt: 354.8
BDBM50163436
Wt: 508.0
BDBM50185196
Wt: 314.4
BDBM50316442

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50154003,50154004,50154005,50154006,50154007,50014599,50154010,50163436,50185196,50316442   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50014599
PNG
(CHEMBL3261747)
Show SMILES Cl.CSCC[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C18H27N5O6S2.ClH/c1-30-8-7-14(19)17(25)20-10-16(24)21-12-9-15(18(26)22-27)23(11-12)31(28,29)13-5-3-2-4-6-13;/h2-6,12,14-15,27H,7-11,19H2,1H3,(H,20,25)(H,21,24)(H,22,26);1H/t12-,14-,15-;/m0./s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...


Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50316442
PNG
(CHEMBL4172257)
Show SMILES S=C(Cc1ccc2c3CCCCc3[nH]c2c1)N1CCOCC1
Show InChI InChI=1S/C18H22N2OS/c22-18(20-7-9-21-10-8-20)12-13-5-6-15-14-3-1-2-4-16(14)19-17(15)11-13/h5-6,11,19H,1-4,7-10,12H2
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n/an/a 1.47E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NQO1 in presence of NADPH measured at 2 sec intervals for 5 mins


J Med Chem 61: 6983-7003 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00124
BindingDB Entry DOI: 10.7270/Q2N0192H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50154010
PNG
(CHEMBL3775903)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 280n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50154010
PNG
(CHEMBL3775903)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 10n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens (Human))
BDBM50154010
PNG
(CHEMBL3775903)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 570n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50154010
PNG
(CHEMBL3775903)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50163436
PNG
(CHEMBL3793454)
Show SMILES CCN(C1=C(Cl)C(=O)N(C1=O)c1cccc(C)c1C)c1ccccc1
Show InChI InChI=1S/C20H19ClN2O2/c1-4-22(15-10-6-5-7-11-15)18-17(21)19(24)23(20(18)25)16-12-8-9-13(2)14(16)3/h5-12H,4H2,1-3H3
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n/an/a 8.30E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...


Bioorg Med Chem Lett 26: 2284-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.048
BindingDB Entry DOI: 10.7270/Q2XP76TS
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50185196
PNG
(CHEMBL3824185)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C27H34ClN7O/c1-33-14-16-35(17-15-33)21-10-12-34(13-11-21)22-8-9-24(25(18-22)36-2)31-27-29-19-23(28)26(32-27)30-20-6-4-3-5-7-20/h3-9,18-19,21H,10-17H2,1-2H3,(H2,29,30,31,32)
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n/an/a 82n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human InsR using myelin basic protein as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00306
BindingDB Entry DOI: 10.7270/Q2NK3H0Q
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50185196
PNG
(CHEMBL3824185)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C27H34ClN7O/c1-33-14-16-35(17-15-33)21-10-12-34(13-11-21)22-8-9-24(25(18-22)36-2)31-27-29-19-23(28)26(32-27)30-20-6-4-3-5-7-20/h3-9,18-19,21H,10-17H2,1-2H3,(H2,29,30,31,32)
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n/an/a 52n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00306
BindingDB Entry DOI: 10.7270/Q2NK3H0Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50185196
PNG
(CHEMBL3824185)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C27H34ClN7O/c1-33-14-16-35(17-15-33)21-10-12-34(13-11-21)22-8-9-24(25(18-22)36-2)31-27-29-19-23(28)26(32-27)30-20-6-4-3-5-7-20/h3-9,18-19,21H,10-17H2,1-2H3,(H2,29,30,31,32)
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n/an/a 9.90n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00306
BindingDB Entry DOI: 10.7270/Q2NK3H0Q
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154003
PNG
(11-Dodecyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13...)
Show SMILES CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-21-30(2)27(18-19-28(30)32)26-16-14-22-20-24(31)15-17-25(22)29(23)26/h20,23,26-28,32H,3-19,21H2,1-2H3/t23-,26?,27?,28-,30-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50154004
PNG
(11-Decyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-11-21-19-28(2)25(16-17-26(28)30)24-14-12-20-18-22(29)13-15-23(20)27(21)24/h18,21,24-26,30H,3-17,19H2,1-2H3/t21-,24?,25?,26-,28-/m0/s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of CHO-K1 cells expressing glucocorticoid receptor


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154005
PNG
(17-Hydroxy-13-methyl-11-octyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-9-19-17-26(2)23(14-15-24(26)28)22-12-10-18-16-20(27)11-13-21(18)25(19)22/h16,19,22-24,28H,3-15,17H2,1-2H3/t19-,22?,23?,24-,26-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154007
PNG
(11-Ethyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C20H28O2/c1-3-12-11-20(2)17(8-9-18(20)22)16-6-4-13-10-14(21)5-7-15(13)19(12)16/h10,12,16-18,22H,3-9,11H2,1-2H3/t12-,16?,17?,18-,20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor expressed in Escherichia coli


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154006
PNG
(17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...)
Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154004
PNG
(11-Decyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-11-21-19-28(2)25(16-17-26(28)30)24-14-12-20-18-22(29)13-15-23(20)27(21)24/h18,21,24-26,30H,3-17,19H2,1-2H3/t21-,24?,25?,26-,28-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor expressed in Escherichia coli


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154004
PNG
(11-Decyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-11-21-19-28(2)25(16-17-26(28)30)24-14-12-20-18-22(29)13-15-23(20)27(21)24/h18,21,24-26,30H,3-17,19H2,1-2H3/t21-,24?,25?,26-,28-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154006
PNG
(17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...)
Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor expressed in Escherichia coli


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50154005
PNG
(17-Hydroxy-13-methyl-11-octyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-9-19-17-26(2)23(14-15-24(26)28)22-12-10-18-16-20(27)11-13-21(18)25(19)22/h16,19,22-24,28H,3-15,17H2,1-2H3/t19-,22?,23?,24-,26-/m0/s1
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n/an/a 979n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of CHO-K1 cells expressing glucocorticoid receptor


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154003
PNG
(11-Dodecyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13...)
Show SMILES CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-21-30(2)27(18-19-28(30)32)26-16-14-22-20-24(31)15-17-25(22)29(23)26/h20,23,26-28,32H,3-19,21H2,1-2H3/t23-,26?,27?,28-,30-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor expressed in Escherichia coli


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154005
PNG
(17-Hydroxy-13-methyl-11-octyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-9-19-17-26(2)23(14-15-24(26)28)22-12-10-18-16-20(27)11-13-21(18)25(19)22/h16,19,22-24,28H,3-15,17H2,1-2H3/t19-,22?,23?,24-,26-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor expressed in Escherichia coli


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154007
PNG
(11-Ethyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C20H28O2/c1-3-12-11-20(2)17(8-9-18(20)22)16-6-4-13-10-14(21)5-7-15(13)19(12)16/h10,12,16-18,22H,3-9,11H2,1-2H3/t12-,16?,17?,18-,20-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154004
PNG
(11-Decyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-11-21-19-28(2)25(16-17-26(28)30)24-14-12-20-18-22(29)13-15-23(20)27(21)24/h18,21,24-26,30H,3-17,19H2,1-2H3/t21-,24?,25?,26-,28-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50154006
PNG
(17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...)
Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of CHO-K1 cells expressing glucocorticoid receptor


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50154007
PNG
(11-Ethyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C20H28O2/c1-3-12-11-20(2)17(8-9-18(20)22)16-6-4-13-10-14(21)5-7-15(13)19(12)16/h10,12,16-18,22H,3-9,11H2,1-2H3/t12-,16?,17?,18-,20-/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of CHO-K1 cells expressing glucocorticoid receptor


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154006
PNG
(17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...)
Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/s1
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n/an/a 0.00900n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50154005
PNG
(17-Hydroxy-13-methyl-11-octyl-1,2,6,7,8,11,12,13,1...)
Show SMILES CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-9-19-17-26(2)23(14-15-24(26)28)22-12-10-18-16-20(27)11-13-21(18)25(19)22/h16,19,22-24,28H,3-15,17H2,1-2H3/t19-,22?,23?,24-,26-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50154003
PNG
(11-Dodecyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13...)
Show SMILES CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-21-30(2)27(18-19-28(30)32)26-16-14-22-20-24(31)15-17-25(22)29(23)26/h20,23,26-28,32H,3-19,21H2,1-2H3/t23-,26?,27?,28-,30-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of CHO-K1 cells expressing glucocorticoid receptor


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50014599
PNG
(CHEMBL3261747)
Show SMILES Cl.CSCC[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C18H27N5O6S2.ClH/c1-30-8-7-14(19)17(25)20-10-16(24)21-12-9-15(18(26)22-27)23(11-12)31(28,29)13-5-3-2-4-6-13;/h2-6,12,14-15,27H,7-11,19H2,1H3,(H,20,25)(H,21,24)(H,22,26);1H/t12-,14-,15-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...


Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair