BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'england' and Initial = 'pm'   
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
Mu-type opioid receptor


(MOUSE)
BDBM50392801
PNG
(CHEMBL2151247)
Show SMILES CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1/C34H49N5O9/c1-35-26(41)17-46-18-27(42)36-12-3-2-4-13-37-28(43)19-47-20-29(44)38-23-9-10-34(45)25-15-22-7-8-24(40)31-30(22)33(34,32(23)48-31)11-14-39(25)16-21-5-6-21/h7-8,21,23,25,32,40,45H,2-6,9-20H2,1H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,25-,32+,33+,34-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.324n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.646n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
2.63n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(MOUSE)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.01n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50392797
PNG
(CHEMBL2151327)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc1cccc2c3C[C@@]4(O)[C@H]6Cc7ccc(OCCc8ccccc8)c8O[C@@H](c3[nH]c12)[C@]4(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1/C64H75N7O12/c1-70-26-22-61-53-39-15-17-45(72)57(53)82-59(61)44(19-21-63(61,77)47(70)29-39)68-52(76)36-80-34-50(74)66-25-7-3-6-24-65-49(73)33-79-35-51(75)67-43-12-8-11-41-42-31-64(78)48-30-40-16-18-46(81-28-20-37-9-4-2-5-10-37)58-54(40)62(64,23-27-71(48)32-38-13-14-38)60(83-58)56(42)69-55(41)43/h2,4-5,8-12,15-18,38,44,47-48,59-60,69,72,77-78H,3,6-7,13-14,19-36H2,1H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t44-,47+,48+,59-,60-,61-,62-,63+,64+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
16.6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
16.6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50392799
PNG
(CHEMBL2151245)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1c(C)cc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)cc1C
Show InChI InChI=1/C58H77N7O10/c1-5-64(6-2)56(71)41-14-12-39(13-15-41)52(40-19-25-59-26-20-40)51-36(3)28-43(29-37(51)4)62-49(69)34-73-32-47(67)60-23-8-7-9-24-61-48(68)33-74-35-50(70)63-44-18-21-58(72)46-30-42-16-17-45(66)54-53(42)57(58,55(44)75-54)22-27-65(46)31-38-10-11-38/h12-17,28-29,38,44,46,55,59,66,72H,5-11,18-27,30-35H2,1-4H3,(H,60,67)(H,61,68)(H,62,69)(H,63,70)/t44-,46-,55+,57+,58-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50392802
PNG
(CHEMBL2151248)
Show SMILES CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45
Show InChI InChI=1/C31H45N5O9/c1-32-23(38)15-43-16-24(39)33-11-4-3-5-12-34-25(40)17-44-18-26(41)35-20-8-9-31(42)22-14-19-6-7-21(37)28-27(19)30(31,29(20)45-28)10-13-36(22)2/h6-7,20,22,29,37,42H,3-5,8-18H2,1-2H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)/t20-,22+,29-,30-,31+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22.4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50392801
PNG
(CHEMBL2151247)
Show SMILES CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1/C34H49N5O9/c1-35-26(41)17-46-18-27(42)36-12-3-2-4-13-37-28(43)19-47-20-29(44)38-23-9-10-34(45)25-15-22-7-8-24(40)31-30(22)33(34,32(23)48-31)11-14-39(25)16-21-5-6-21/h7-8,21,23,25,32,40,45H,2-6,9-20H2,1H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,25-,32+,33+,34-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50392798
PNG
(CHEMBL2151328)
Show SMILES Nc1cccc2c3C[C@@]4(O)[C@H]5Cc6ccc(OCCc7ccccc7)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67
Show InChI InChI=1/C34H35N3O3/c35-25-8-4-7-23-24-18-34(38)27-17-22-11-12-26(39-16-13-20-5-2-1-3-6-20)31-28(22)33(34,14-15-37(27)19-21-9-10-21)32(40-31)30(24)36-29(23)25/h1-8,11-12,21,27,32,36,38H,9-10,13-19,35H2/t27-,32+,33+,34-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
91.2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50392798
PNG
(CHEMBL2151328)
Show SMILES Nc1cccc2c3C[C@@]4(O)[C@H]5Cc6ccc(OCCc7ccccc7)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67
Show InChI InChI=1/C34H35N3O3/c35-25-8-4-7-23-24-18-34(38)27-17-22-11-12-26(39-16-13-20-5-2-1-3-6-20)31-28(22)33(34,14-15-37(27)19-21-9-10-21)32(40-31)30(24)36-29(23)25/h1-8,11-12,21,27,32,36,38H,9-10,13-19,35H2/t27-,32+,33+,34-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50194110
PNG
((S)-N-(1-(7-(4-aminobutylamino)heptylamino)-3-(4-h...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCNCCCCN
Show InChI InChI=1S/C24H42N4O3/c1-2-10-23(30)28-22(19-20-11-13-21(29)14-12-20)24(31)27-18-8-5-3-4-7-16-26-17-9-6-15-25/h11-14,22,26,29H,2-10,15-19,25H2,1H3,(H,27,31)(H,28,30)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
168n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes assessed as inhibition of 100 uM glutamate-induced current


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50392797
PNG
(CHEMBL2151327)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc1cccc2c3C[C@@]4(O)[C@H]6Cc7ccc(OCCc8ccccc8)c8O[C@@H](c3[nH]c12)[C@]4(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1/C64H75N7O12/c1-70-26-22-61-53-39-15-17-45(72)57(53)82-59(61)44(19-21-63(61,77)47(70)29-39)68-52(76)36-80-34-50(74)66-25-7-3-6-24-65-49(73)33-79-35-51(75)67-43-12-8-11-41-42-31-64(78)48-30-40-16-18-46(81-28-20-37-9-4-2-5-10-37)58-54(40)62(64,23-27-71(48)32-38-13-14-38)60(83-58)56(42)69-55(41)43/h2,4-5,8-12,15-18,38,44,47-48,59-60,69,72,77-78H,3,6-7,13-14,19-36H2,1H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t44-,47+,48+,59-,60-,61-,62-,63+,64+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
204n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50392800
PNG
(CHEMBL2151246)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1c(C)cc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)NC)cc1C
Show InChI InChI=1S/C39H56N6O7/c1-6-45(7-2)39(50)31-13-11-29(12-14-31)38(30-15-19-41-20-16-30)37-27(3)21-32(22-28(37)4)44-36(49)26-52-25-35(48)43-18-10-8-9-17-42-34(47)24-51-23-33(46)40-5/h11-14,21-22,41H,6-10,15-20,23-26H2,1-5H3,(H,40,46)(H,42,47)(H,43,48)(H,44,49)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
724n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50392800
PNG
(CHEMBL2151246)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1c(C)cc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)NC)cc1C
Show InChI InChI=1S/C39H56N6O7/c1-6-45(7-2)39(50)31-13-11-29(12-14-31)38(30-15-19-41-20-16-30)37-27(3)21-32(22-28(37)4)44-36(49)26-52-25-35(48)43-18-10-8-9-17-42-34(47)24-51-23-33(46)40-5/h11-14,21-22,41H,6-10,15-20,23-26H2,1-5H3,(H,40,46)(H,42,47)(H,43,48)(H,44,49)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.88E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM238895
PNG
(US10053433, Casodex (CDX) | US10053433, FC 4.037 (...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 15n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50105843
PNG
(2-Amino-N-{3-[4-(3-amino-propylamino)-butylamino]-...)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant GluA3 receptor flop isoform expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current by patch ...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50105843
PNG
(2-Amino-N-{3-[4-(3-amino-propylamino)-butylamino]-...)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current by patch ...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50316374
PNG
(CHEMBL1096289 | N-(4-hydroxyphenylpropanyl)-spermi...)
Show SMILES NCCCNCCCCNCCCNC(=O)CCc1ccccc1
Show InChI InChI=1S/C19H34N4O/c20-12-6-15-21-13-4-5-14-22-16-7-17-23-19(24)11-10-18-8-2-1-3-9-18/h1-3,8-9,21-22H,4-7,10-17,20H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA3 receptor expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM238895
PNG
(US10053433, Casodex (CDX) | US10053433, FC 4.037 (...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 190n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50316373
PNG
(Argiotoxin-636 | CHEMBL1098240)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GluA3 receptor expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current by patch clamp electrophysiologica...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50316373
PNG
(Argiotoxin-636 | CHEMBL1098240)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant GluA3 receptor flip isoform expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current by patch ...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50316374
PNG
(CHEMBL1096289 | N-(4-hydroxyphenylpropanyl)-spermi...)
Show SMILES NCCCNCCCCNCCCNC(=O)CCc1ccccc1
Show InChI InChI=1S/C19H34N4O/c20-12-6-15-21-13-4-5-14-22-16-7-17-23-19(24)11-10-18-8-2-1-3-9-18/h1-3,8-9,21-22H,4-7,10-17,20H2,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA4 receptor expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50316373
PNG
(Argiotoxin-636 | CHEMBL1098240)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GluA1 receptor expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current by patch clamp electrophysiologica...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50316373
PNG
(Argiotoxin-636 | CHEMBL1098240)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current by patch ...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM238895
PNG
(US10053433, Casodex (CDX) | US10053433, FC 4.037 (...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 360n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50316373
PNG
(Argiotoxin-636 | CHEMBL1098240)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GluA4 receptor expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current by patch clamp electrophysiologica...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50316374
PNG
(CHEMBL1096289 | N-(4-hydroxyphenylpropanyl)-spermi...)
Show SMILES NCCCNCCCCNCCCNC(=O)CCc1ccccc1
Show InChI InChI=1S/C19H34N4O/c20-12-6-15-21-13-4-5-14-22-16-7-17-23-19(24)11-10-18-8-2-1-3-9-18/h1-3,8-9,21-22H,4-7,10-17,20H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA1 receptor expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM239191
PNG
(US10053433, FC 3.077)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)C#N)C(F)(F)F
Show InChI InChI=1/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-11(18)3-5-12)15(25)24-14-6-13(17(19,20)21)10(7-22)8-23-14/h2-6,8,26H,9H2,1H3,(H,23,24,25)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 490n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM242618
PNG
(US10053433, FC 4.025)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(S(=O)(=O)C=C)S(=O)(=O)C=C)c(c1)C(F)(F)F
Show InChI InChI=1/C22H21F4NO8S3/c1-4-36(30,31)19(37(32,33)5-2)17-11-8-15(12-18(17)22(24,25)26)27-20(28)21(3,29)13-38(34,35)16-9-6-14(23)7-10-16/h4-12,19,29H,1-2,13H2,3H3,(H,27,28)/t21-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 580n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM242588
PNG
(US10053433, FC 4.039)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
Show InChI InChI=1/C19H17ClF4N2O5S/c1-18(29,10-32(30,31)13-5-2-11(21)3-6-13)17(28)25-12-4-7-15(26-16(27)9-20)14(8-12)19(22,23)24/h2-8,29H,9-10H2,1H3,(H,25,28)(H,26,27)/t18-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 750n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM238895
PNG
(US10053433, Casodex (CDX) | US10053433, FC 4.037 (...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.00E+3n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50253632
PNG
(6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione |...)
Show SMILES [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N-][N+]#N
Show InChI InChI=1S/C8H4N6O4/c9-13-12-5-1-3-4(2-6(5)14(17)18)11-8(16)7(15)10-3/h1-2H,(H,10,15)(H,11,16)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

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



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of GluR2 receptor (unknown origin)


J Med Chem 51: 5856-60 (2008)


Article DOI: 10.1021/jm701517b
BindingDB Entry DOI: 10.7270/Q2W095R1
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM242618
PNG
(US10053433, FC 4.025)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(S(=O)(=O)C=C)S(=O)(=O)C=C)c(c1)C(F)(F)F
Show InChI InChI=1/C22H21F4NO8S3/c1-4-36(30,31)19(37(32,33)5-2)17-11-8-15(12-18(17)22(24,25)26)27-20(28)21(3,29)13-38(34,35)16-9-6-14(23)7-10-16/h4-12,19,29H,1-2,13H2,3H3,(H,27,28)/t21-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.29E+3n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM239363
PNG
(US10053433, FC 4.126)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C16H14F4N2O4S/c1-15(24,9-27(25,26)12-4-2-11(17)3-5-12)14(23)22-13-8-10(6-7-21-13)16(18,19)20/h2-8,24H,9H2,1H3,(H,21,22,23)/t15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.55E+3n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | Xtandi)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 1.94E+3n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM239316
PNG
(US10053433, FC 4.116)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cncc(c1)C(F)(F)F
Show InChI InChI=1/C16H14F4N2O4S/c1-15(24,9-27(25,26)13-4-2-11(17)3-5-13)14(23)22-12-6-10(7-21-8-12)16(18,19)20/h2-8,24H,9H2,1H3,(H,22,23)/t15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.53E+3n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50094298
PNG
(CHEMBL16117 | N-[(S)-1-{3-[4-(3-Amino-propylamino)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50094975
PNG
(956104-40-8 | ARN-509 | JNJ-56021927 | US10053433,...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 3.11E+3n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50094975
PNG
(956104-40-8 | ARN-509 | JNJ-56021927 | US10053433,...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 3.28E+3n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50316373
PNG
(Argiotoxin-636 | CHEMBL1098240)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activity at recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes assessed as effect of 100 uM kainate-induced current by patch clamp ...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50316373
PNG
(Argiotoxin-636 | CHEMBL1098240)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM242578
PNG
(US10053433, FC 4.127)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1/C16H13F4N3O6S/c1-15(25,8-30(28,29)10-4-2-9(17)3-5-10)14(24)22-13-6-11(16(18,19)20)12(7-21-13)23(26)27/h2-7,25H,8H2,1H3,(H,21,22,24)/t15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 7.26E+3n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50253650
PNG
(CHEMBL462490 | [1,2,5]oxadiazolo[3,4-g]quinoxaline...)
Show SMILES [O-][n+]1onc2cc3[nH]c(=O)c(=O)[nH]c3cc12
Show InChI InChI=1S/C8H4N4O4/c13-7-8(14)10-4-2-6-5(1-3(4)9-7)11-16-12(6)15/h1-2H,(H,9,13)(H,10,14)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of GluR2 receptor (unknown origin)


J Med Chem 51: 5856-60 (2008)


Article DOI: 10.1021/jm701517b
BindingDB Entry DOI: 10.7270/Q2W095R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | Xtandi)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 8.61E+3n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM242578
PNG
(US10053433, FC 4.127)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1/C16H13F4N3O6S/c1-15(25,8-30(28,29)10-4-2-9(17)3-5-10)14(24)22-13-6-11(16(18,19)20)12(7-21-13)23(26)27/h2-7,25H,8H2,1H3,(H,21,22,24)/t15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8.74E+3n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM239363
PNG
(US10053433, FC 4.126)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C16H14F4N2O4S/c1-15(24,9-27(25,26)12-4-2-11(17)3-5-12)14(23)22-13-8-10(6-7-21-13)16(18,19)20/h2-8,24H,9H2,1H3,(H,21,22,23)/t15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.24E+4n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50094975
PNG
(956104-40-8 | ARN-509 | JNJ-56021927 | US10053433,...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 1.95E+4n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 122 total )  |  Next  |  Last  >>
Jump to: