BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'furuya' and Initial = 'k'   
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
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217841
PNG
(REVEROMYCIN A)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C(\C)=C\C(O)=O)OC(=O)CCC(O)=O
Show InChI InChI=1/C36H52O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/s2
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from androgen receptor in Sprague-Dawley rat prostate gland after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50338693
PNG
(2-methyl-2-((3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahy...)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)[N+]([O-])=O
Show InChI InChI=1/C16H20N2O3/c1-16(2,9-19)15-12-5-3-4-11(12)13-8-10(18(20)21)6-7-14(13)17-15/h3-4,6-8,11-12,15,17,19H,5,9H2,1-2H3/t11-,12+,15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in JW rabbit uterus after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50338693
PNG
(2-methyl-2-((3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahy...)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)[N+]([O-])=O
Show InChI InChI=1/C16H20N2O3/c1-16(2,9-19)15-12-5-3-4-11(12)13-8-10(18(20)21)6-7-14(13)17-15/h3-4,6-8,11-12,15,17,19H,5,9H2,1-2H3/t11-,12+,15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Dex from glucocorticoid receptor in Sprague-Dawley rat liver after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid


(RAT)
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355949
PNG
(CHEMBL1910418)
Show SMILES CCS[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1/C15H22N2O3S/c1-4-21-13-8-14(15(2,3)9-18)16-12-6-5-10(17(19)20)7-11(12)13/h5-7,13-14,16,18H,4,8-9H2,1-3H3/t13-,14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from androgen receptor in Sprague-Dawley rat prostate gland after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355936
PNG
(CHEMBL1910411)
Show SMILES CN(C)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1/C15H23N3O3/c1-15(2,9-19)14-8-13(17(3)4)11-7-10(18(20)21)5-6-12(11)16-14/h5-7,13-14,16,19H,8-9H2,1-4H3/t13-,14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217935
PNG
(CHEMBL114859)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C(\C)=C\C(O)=O)OC
Show InChI InChI=1/C33H50O8/c1-7-8-18-32(39-6)20-21-33(41-29(32)15-11-24(3)22-31(37)38)19-17-26(5)28(40-33)14-10-23(2)9-13-27(34)25(4)12-16-30(35)36/h9-13,15-16,22,25-29,34H,7-8,14,17-21H2,1-6H3,(H,35,36)(H,37,38)/b13-9+,15-11+,16-12+,23-10+,24-22+/t25-,26-,27-,28+,29-,32+,33-/s2
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355938
PNG
(CHEMBL1909642)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2OCC[C@@H]12)[N+]([O-])=O
Show InChI InChI=1/C15H20N2O4/c1-15(2,8-18)14-10-5-6-21-13(10)11-7-9(17(19)20)3-4-12(11)16-14/h3-4,7,10,13-14,16,18H,5-6,8H2,1-2H3/t10-,13+,14+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217844
PNG
(CHEMBL115953)
Show SMILES CCCC[C@@]1(O)CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1/C32H48O8/c1-6-7-17-31(38)19-20-32(40-28(31)14-10-23(3)21-30(36)37)18-16-25(5)27(39-32)13-9-22(2)8-12-26(33)24(4)11-15-29(34)35/h8-12,14-15,21,24-28,33,38H,6-7,13,16-20H2,1-5H3,(H,34,35)(H,36,37)/b12-8+,14-10+,15-11+,22-9+,23-21+/t24-,25-,26-,27+,28-,31+,32-/s2
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
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
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mineralocorticoid


(RAT)
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
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat kidney after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355940
PNG
(CHEMBL1910408)
Show SMILES CCO[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1/C15H22N2O4/c1-4-21-13-8-14(15(2,3)9-18)16-12-6-5-10(17(19)20)7-11(12)13/h5-7,13-14,16,18H,4,8-9H2,1-3H3/t13-,14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355936
PNG
(CHEMBL1910411)
Show SMILES CN(C)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1/C15H23N3O3/c1-15(2,9-19)14-8-13(17(3)4)11-7-10(18(20)21)5-6-12(11)16-14/h5-7,13-14,16,19H,8-9H2,1-4H3/t13-,14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from androgen receptor in Sprague-Dawley rat prostate gland after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355937
PNG
(CHEMBL1910406)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2OCCC[C@@H]12)[N+]([O-])=O
Show InChI InChI=1/C16H22N2O4/c1-16(2,9-19)15-11-4-3-7-22-14(11)12-8-10(18(20)21)5-6-13(12)17-15/h5-6,8,11,14-15,17,19H,3-4,7,9H2,1-2H3/t11-,14+,15+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355950
PNG
(CHEMBL1910419)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](Sc2ccccc2)c2cc(ccc2N1)[N+]([O-])=O
Show InChI InChI=1/C19H22N2O3S/c1-19(2,12-22)18-11-17(25-14-6-4-3-5-7-14)15-10-13(21(23)24)8-9-16(15)20-18/h3-10,17-18,20,22H,11-12H2,1-2H3/t17-,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217934
PNG
(CHEMBL321686)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O2)O[C@H]1\C=C\C=C\C(O)=O)OC(=O)CCC(O)=O
Show InChI InChI=1S/C36H52O11/c1-6-7-21-35(47-34(43)19-17-32(40)41)23-24-36(46-30(35)10-8-9-11-31(38)39)22-20-27(4)29(45-36)16-13-25(2)12-15-28(37)26(3)14-18-33(42)44-5/h8-15,18,26-30,37H,6-7,16-17,19-24H2,1-5H3,(H,38,39)(H,40,41)/b10-8+,11-9+,15-12+,18-14+,25-13+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 93n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355942
PNG
(CHEMBL1910410)
Show SMILES CCCN(CCC)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1/C19H31N3O3/c1-5-9-21(10-6-2)17-12-18(19(3,4)13-23)20-16-8-7-14(22(24)25)11-15(16)17/h7-8,11,17-18,20,23H,5-6,9-10,12-13H2,1-4H3/t17-,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217938
PNG
(CHEMBL112182)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C=C\C(O)=O)OC(=O)CCC(=O)OC
Show InChI InChI=1S/C36H52O11/c1-6-7-21-35(47-34(43)19-18-33(42)44-5)23-24-36(46-30(35)10-8-9-11-31(38)39)22-20-27(4)29(45-36)16-13-25(2)12-15-28(37)26(3)14-17-32(40)41/h8-15,17,26-30,37H,6-7,16,18-24H2,1-5H3,(H,38,39)(H,40,41)/b10-8+,11-9+,15-12+,17-14+,25-13+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 129n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM50338693
PNG
(2-methyl-2-((3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahy...)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)[N+]([O-])=O
Show InChI InChI=1/C16H20N2O3/c1-16(2,9-19)15-12-5-3-4-11(12)13-8-10(18(20)21)6-7-14(13)17-15/h3-4,6-8,11-12,15,17,19H,5,9H2,1-2H3/t11-,12+,15-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217849
PNG
(CHEMBL115317)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](OC)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C(\C)=C\C(O)=O)OC(=O)CCC(O)=O
Show InChI InChI=1/C37H54O11/c1-7-8-20-36(48-35(44)18-17-33(40)41)22-23-37(47-31(36)15-11-26(3)24-34(42)43)21-19-28(5)30(46-37)14-10-25(2)9-13-29(45-6)27(4)12-16-32(38)39/h9-13,15-16,24,27-31H,7-8,14,17-23H2,1-6H3,(H,38,39)(H,40,41)(H,42,43)/b13-9+,15-11+,16-12+,25-10+,26-24+/t27-,28-,29-,30+,31-,36+,37-/s2
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 165n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217839
PNG
(CHEMBL327131)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C(\C)=C\C(O)=O)OCSC
Show InChI InChI=1/C34H52O8S/c1-7-8-18-33(40-23-43-6)20-21-34(42-30(33)15-11-25(3)22-32(38)39)19-17-27(5)29(41-34)14-10-24(2)9-13-28(35)26(4)12-16-31(36)37/h9-13,15-16,22,26-30,35H,7-8,14,17-21,23H2,1-6H3,(H,36,37)(H,38,39)/b13-9+,15-11+,16-12+,24-10+,25-22+/t26-,27-,28-,29+,30-,33+,34-/s2
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 219n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from progesterone receptor in JW rabbit uterus after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217846
PNG
(CHEMBL332420)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C=C\C(=O)OC)OC(=O)CCC(O)=O
Show InChI InChI=1S/C36H52O11/c1-6-7-21-35(47-34(43)19-18-32(40)41)23-24-36(46-30(35)10-8-9-11-33(42)44-5)22-20-27(4)29(45-36)16-13-25(2)12-15-28(37)26(3)14-17-31(38)39/h8-15,17,26-30,37H,6-7,16,18-24H2,1-5H3,(H,38,39)(H,40,41)/b10-8+,11-9+,15-12+,17-14+,25-13+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 491n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217842
PNG
(REVEROMYCIN B)
Show SMILES CCCC[C@@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O1)[C@@H](OC(=O)CCC(O)=O)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1/C36H52O11/c1-6-7-19-35(30(14-10-25(3)23-33(42)43)45-34(44)17-16-32(40)41)21-22-36(47-35)20-18-27(5)29(46-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/s2
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217840
PNG
(CHEMBL324768)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O2)O[C@H]1\C=C\C(\C)=C\C(=O)OC)OC(=O)CCC(=O)OC
Show InChI InChI=1S/C39H58O11/c1-9-10-22-38(50-36(43)20-19-35(42)46-7)24-25-39(49-33(38)17-13-28(3)26-37(44)47-8)23-21-30(5)32(48-39)16-12-27(2)11-15-31(40)29(4)14-18-34(41)45-6/h11-15,17-18,26,29-33,40H,9-10,16,19-25H2,1-8H3/b15-11+,17-13+,18-14+,27-12+,28-26+/t29-,30-,31-,32+,33-,38+,39-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217838
PNG
(CHEMBL115939)
Show SMILES CCCC[C@@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O1)[C@@H](OC)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C33H50O8/c1-7-8-18-32(29(39-6)15-11-24(3)22-31(37)38)20-21-33(41-32)19-17-26(5)28(40-33)14-10-23(2)9-13-27(34)25(4)12-16-30(35)36/h9-13,15-16,22,25-29,34H,7-8,14,17-21H2,1-6H3,(H,35,36)(H,37,38)/b13-9+,15-11+,16-12+,23-10+,24-22+/t25-,26-,27-,28+,29-,32+,33-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217937
PNG
(CHEMBL114949)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](OC(C)=O)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C(\C)=C\C(O)=O)OC(=O)CCC(O)=O
Show InChI InChI=1/C38H54O12/c1-7-8-20-37(50-36(46)18-17-34(42)43)22-23-38(49-32(37)15-11-26(3)24-35(44)45)21-19-28(5)31(48-38)14-10-25(2)9-13-30(47-29(6)39)27(4)12-16-33(40)41/h9-13,15-16,24,27-28,30-32H,7-8,14,17-23H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)/b13-9+,15-11+,16-12+,25-10+,26-24+/t27-,28-,30-,31+,32-,37+,38-/s2
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217843
PNG
(CHEMBL115081)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O2)O[C@H]1\C=C\C=C\C(=O)OC)OC(=O)CCC(O)=O
Show InChI InChI=1S/C37H54O11/c1-7-8-22-36(48-35(43)20-18-32(39)40)24-25-37(47-31(36)11-9-10-12-33(41)44-5)23-21-28(4)30(46-37)17-14-26(2)13-16-29(38)27(3)15-19-34(42)45-6/h9-16,19,27-31,38H,7-8,17-18,20-25H2,1-6H3,(H,39,40)/b11-9+,12-10+,16-13+,19-15+,26-14+/t27-,28-,29-,30+,31-,36+,37-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217845
PNG
(CHEMBL324327)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C=C\C(=O)OC)OC(=O)CCC(=O)OC
Show InChI InChI=1S/C37H54O11/c1-7-8-22-36(48-35(43)20-19-34(42)45-6)24-25-37(47-31(36)11-9-10-12-33(41)44-5)23-21-28(4)30(46-37)17-14-26(2)13-16-29(38)27(3)15-18-32(39)40/h9-16,18,27-31,38H,7-8,17,19-25H2,1-6H3,(H,39,40)/b11-9+,12-10+,16-13+,18-15+,26-14+/t27-,28-,29-,30+,31-,36+,37-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217847
PNG
(CHEMBL114741)
Show SMILES CCCC[C@@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O1)[C@@H](O)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C32H48O8/c1-6-7-17-31(28(34)14-10-23(3)21-30(37)38)19-20-32(40-31)18-16-25(5)27(39-32)13-9-22(2)8-12-26(33)24(4)11-15-29(35)36/h8-12,14-15,21,24-28,33-34H,6-7,13,16-20H2,1-5H3,(H,35,36)(H,37,38)/b12-8+,14-10+,15-11+,22-9+,23-21+/t24-,25-,26-,27+,28-,31+,32-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217848
PNG
(CHEMBL326691)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C(\C)=C\C(=O)OC)OCSC
Show InChI InChI=1S/C35H54O8S/c1-8-9-19-34(41-24-44-7)21-22-35(43-31(34)16-12-26(3)23-33(39)40-6)20-18-28(5)30(42-35)15-11-25(2)10-14-29(36)27(4)13-17-32(37)38/h10-14,16-17,23,27-31,36H,8-9,15,18-22,24H2,1-7H3,(H,37,38)/b14-10+,16-12+,17-13+,25-11+,26-23+/t27-,28-,29-,30+,31-,34+,35-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217932
PNG
(CHEMBL115260)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O2)O[C@H]1\C=C\C(\C)=C\C(O)=O)OC(=O)CCC(=O)OC
Show InChI InChI=1S/C38H56O11/c1-8-9-21-37(49-36(44)19-18-35(43)46-7)23-24-38(48-32(37)16-12-27(3)25-33(40)41)22-20-29(5)31(47-38)15-11-26(2)10-14-30(39)28(4)13-17-34(42)45-6/h10-14,16-17,25,28-32,39H,8-9,15,18-24H2,1-7H3,(H,40,41)/b14-10+,16-12+,17-13+,26-11+,27-25+/t28-,29-,30-,31+,32-,37+,38-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217933
PNG
(CHEMBL115057)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O[SiH2]C(C)(C)C)[C@@H](C)\C=C\C(O)=O)O2)O[C@H]1\C=C\C(\C)=C\C(O)=O)OC(=O)CCC(O)=O
Show InChI InChI=1S/C40H62O11Si/c1-9-10-22-39(50-37(47)20-19-35(43)44)24-25-40(49-33(39)17-13-28(3)26-36(45)46)23-21-30(5)31(48-40)15-11-27(2)12-16-32(51-52-38(6,7)8)29(4)14-18-34(41)42/h11-14,16-18,26,29-33H,9-10,15,19-25,52H2,1-8H3,(H,41,42)(H,43,44)(H,45,46)/b16-12+,17-13+,18-14+,27-11+,28-26+/t29-,30-,31+,32-,33-,39+,40-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Isoleucyl-tRNA synthetase


(Rattus norvegicus)
BDBM50217936
PNG
(CHEMBL115949)
Show SMILES CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](CCC(C)CC[C@H](O)[C@@H](C)CCC(O)=O)O2)O[C@H]1CCC(C)CC(O)=O)OC(=O)CCC(O)=O
Show InChI InChI=1S/C36H62O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h24-30,37H,6-23H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/t24?,25?,26-,27-,28-,29+,30-,35+,36-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity


Bioorg Med Chem Lett 12: 3363-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00782-5
BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355951
PNG
(CHEMBL1910420)
Show SMILES CCS(=O)(=O)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1/C15H22N2O5S/c1-4-23(21,22)13-8-14(15(2,3)9-18)16-12-6-5-10(17(19)20)7-11(12)13/h5-7,13-14,16,18H,4,8-9H2,1-3H3/t13-,14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355948
PNG
(CHEMBL1910417)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](NCc2ccccc2)c2cc(ccc2N1)[N+]([O-])=O
Show InChI InChI=1/C20H25N3O3/c1-20(2,13-24)19-11-18(21-12-14-6-4-3-5-7-14)16-10-15(23(25)26)8-9-17(16)22-19/h3-10,18-19,21-22,24H,11-13H2,1-2H3/t18-,19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355947
PNG
(CHEMBL1910416)
Show SMILES CC(C)N\C([S-])=[NH+]/C1CC(Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1/C17H26N4O3S/c1-10(2)18-16(25)20-14-8-15(17(3,4)9-22)19-13-6-5-11(21(23)24)7-12(13)14/h5-7,10,14-15,19,22H,8-9H2,1-4H3,(H2,18,20,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355946
PNG
(CHEMBL1910415)
Show SMILES CC(C)NC(=O)N[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1/C17H26N4O4/c1-10(2)18-16(23)20-14-8-15(17(3,4)9-22)19-13-6-5-11(21(24)25)7-12(13)14/h5-7,10,14-15,19,22H,8-9H2,1-4H3,(H2,18,20,23)/t14-,15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355945
PNG
(CHEMBL1910414)
Show SMILES CC(C)C(=O)N[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1/C17H25N3O4/c1-10(2)16(22)19-14-8-15(17(3,4)9-21)18-13-6-5-11(20(23)24)7-12(13)14/h5-7,10,14-15,18,21H,8-9H2,1-4H3,(H,19,22)/t14-,15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355944
PNG
(CHEMBL1910413)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](N)c2cc(ccc2N1)[N+]([O-])=O
Show InChI InChI=1/C13H19N3O3/c1-13(2,7-17)12-6-10(14)9-5-8(16(18)19)3-4-11(9)15-12/h3-5,10,12,15,17H,6-7,14H2,1-2H3/t10-,12-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355943
PNG
(CHEMBL1910412)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](NC=O)c2cc(ccc2N1)[N+]([O-])=O
Show InChI InChI=1/C14H19N3O4/c1-14(2,7-18)13-6-12(15-8-19)10-5-9(17(20)21)3-4-11(10)16-13/h3-5,8,12-13,16,18H,6-7H2,1-2H3,(H,15,19)/t12-,13-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 85 total )  |  Next  |  Last  >>
Jump to: