Found 603 hits with Last Name = 'stadler' and Initial = 'h' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378529
(CHEMBL566189)Show InChI InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-20-14(16-8-18-20)10-5-3-4-6-11(10)19(12)9-17-13/h3-6,8-9H,2,7H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311052
(CHEMBL1079870 | ethyl 3-fluoro-9H-benzo[f]imidazo[...)Show InChI InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flumazenil from human GABAalpha5beta3gamma2 receptor expressed in insect SF9 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311061
(3-(3-fluoro-9H-benzo[f]imidazo[1,5-a][1,2,4]triazo...)Show InChI InChI=1S/C15H10FN7O/c1-8-20-14(21-24-8)13-12-5-23-15(17-6-19-23)10-4-9(16)2-3-11(10)22(12)7-18-13/h2-4,6-7H,5H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378525
(CHEMBL571466)Show InChI InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-21-15(17-8-19-21)11-6-10(23-2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378486
(CHEMBL566181)Show InChI InChI=1S/C15H14N4O/c1-2-20-15-14-9-19-13(7-8-17-19)11-5-3-4-6-12(11)18(14)10-16-15/h3-8,10H,2,9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378517
(CHEMBL567243)Show InChI InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378518
(CHEMBL565560)Show InChI InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311048
(10-chloro-3-fluoro-9H-benzo[f]imidazo[1,5-a][1,2,4...)Show InChI InChI=1S/C12H7ClFN5/c13-11-10-4-19-12(15-5-17-19)8-3-7(14)1-2-9(8)18(10)6-16-11/h1-3,5-6H,4H2 | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flumazenil from human GABAalpha5beta3gamma2 receptor expressed in insect SF9 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311049
(10-chloro-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo...)Show InChI InChI=1S/C12H8ClN5/c13-11-10-5-18-12(14-6-16-18)8-3-1-2-4-9(8)17(10)7-15-11/h1-4,6-7H,5H2 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50178575
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(6-(4-hydroxy...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCC(O)CC1 Show InChI InChI=1S/C30H31F6N3O2/c1-18-7-5-6-8-23(18)24-16-26(39-11-9-22(40)10-12-39)37-17-25(24)38(4)27(41)28(2,3)19-13-20(29(31,32)33)15-21(14-19)30(34,35)36/h5-8,13-17,22,40H,9-12H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1362-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50178558
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(nc1-c1ccccc1C)N1CCN(C)CC1 Show InChI InChI=1S/C29H31F6N5O/c1-18-8-6-7-9-22(18)24-23(17-36-26(37-24)40-12-10-38(4)11-13-40)39(5)25(41)27(2,3)19-14-20(28(30,31)32)16-21(15-19)29(33,34)35/h6-9,14-17H,10-13H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1362-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378469
(CHEMBL576426)Show InChI InChI=1S/C14H13N5/c1-2-11-13-7-19-14(15-8-17-19)10-5-3-4-6-12(10)18(13)9-16-11/h3-6,8-9H,2,7H2,1H3 | PDB
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antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378519
(CHEMBL566188)Show InChI InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-21-15(17-8-19-21)11-6-10(2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318924
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50178565
(CHEMBL206488 | N-(3,5-bis(trifluoromethyl)benzyl)-...)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1 Show InChI InChI=1S/C28H28F6N4O/c1-18-6-4-5-7-22(18)23-15-25(38-10-8-36(2)9-11-38)35-16-24(23)26(39)37(3)17-19-12-20(27(29,30)31)14-21(13-19)28(32,33)34/h4-7,12-16H,8-11,17H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1362-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50310948
(5-((3-chloro-10-methyl-9H-benzo[f]imidazo[1,5-a][1...)Show SMILES Cc1cc(Cc2nc3-c4cc(Cl)ccc4-n4cnc(C)c4Cn3n2)on1 Show InChI InChI=1S/C18H15ClN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor |
Bioorg Med Chem Lett 19: 5958-61 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50310938
(5-((3-bromo-10-methyl-9H-benzo[f]imidazo[1,5-a][1,...)Show SMILES Cc1cc(Cc2nc3-c4cc(Br)ccc4-n4cnc(C)c4Cn3n2)on1 Show InChI InChI=1S/C18H15BrN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor |
Bioorg Med Chem Lett 19: 5958-61 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378527
(CHEMBL569010)Show InChI InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-18-9-20-22(16)8-14-15(17(23)24-4-2)19-10-21(13)14/h1,5-7,9-10H,4,8H2,2H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378520
(CHEMBL571465)Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(ccc-21)C1CC1 Show InChI InChI=1S/C18H17N5O2/c1-2-25-18(24)16-15-8-23-17(19-9-21-23)13-7-12(11-3-4-11)5-6-14(13)22(15)10-20-16/h5-7,9-11H,2-4,8H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378504
(CHEMBL565345)Show InChI InChI=1S/C15H13N5O3/c1-2-23-15(22)13-12-6-19-8-17-18-14(19)10-5-9(21)3-4-11(10)20(12)7-16-13/h3-5,7-8,21H,2,6H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378501
(CHEMBL567019)Show InChI InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318925
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318922
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(39)16-40)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318930
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(CCO)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClF6N3O2/c1-25(2,16-11-17(26(29,30)31)13-18(12-16)27(32,33)34)24(39)37(4)22-15-35-23(36(3)9-10-38)14-20(22)19-7-5-6-8-21(19)28/h5-8,11-15,38H,9-10H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378526
(CHEMBL569273)Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(OC(F)(F)F)ccc-21 Show InChI InChI=1S/C16H12F3N5O3/c1-2-26-15(25)13-12-6-24-14(20-7-22-24)10-5-9(27-16(17,18)19)3-4-11(10)23(12)8-21-13/h3-5,7-8H,2,6H2,1H3 | PDB
KEGG
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antibodypedia
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378498
(CHEMBL577290)Show InChI InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-19-9-17-18-14(19)10-5-3-4-6-11(10)20(12)8-16-13/h3-6,8-9H,2,7H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50310947
(5-((3,10-dimethyl-9H-benzo[f]imidazo[1,5-a][1,2,4]...)Show SMILES Cc1cc(Cc2nc3-c4cc(C)ccc4-n4cnc(C)c4Cn3n2)on1 Show InChI InChI=1S/C19H18N6O/c1-11-4-5-16-15(6-11)19-21-18(8-14-7-12(2)23-26-14)22-25(19)9-17-13(3)20-10-24(16)17/h4-7,10H,8-9H2,1-3H3 | PDB
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UniChem
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor |
Bioorg Med Chem Lett 19: 5958-61 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318919
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C28H26ClF6N3O2/c1-26(2,16-10-17(27(30,31)32)12-18(11-16)28(33,34)35)25(40)37(3)23-14-36-24(38-9-8-19(39)15-38)13-21(23)20-6-4-5-7-22(20)29/h4-7,10-14,19,39H,8-9,15H2,1-3H3/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50310937
(5-((3-bromo-10-methyl-9H-benzo[f]imidazo[1,5-a][1,...)Show SMILES Cc1noc(Cc2nc3-c4cc(Br)ccc4-n4cnc(C)c4Cn3n2)n1 Show InChI InChI=1S/C17H14BrN7O/c1-9-14-7-25-17(21-15(22-25)6-16-20-10(2)23-26-16)12-5-11(18)3-4-13(12)24(14)8-19-9/h3-5,8H,6-7H2,1-2H3 | PDB
KEGG
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antibodypedia
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antibodypedia
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor |
Bioorg Med Chem Lett 19: 5958-61 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318927
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-10-17(28(31,32)33)12-18(11-16)29(34,35)36)26(42)38(3)22-14-37-25(39-9-8-24(41)23(39)15-40)13-20(22)19-6-4-5-7-21(19)30/h4-7,10-14,23-24,40-41H,8-9,15H2,1-3H3/t23-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318915
(CHEMBL1082737 | N-(6-(bis(2-hydroxyethyl)amino)-4-...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCO Show InChI InChI=1S/C28H28ClF6N3O3/c1-26(2,17-12-18(27(30,31)32)14-19(13-17)28(33,34)35)25(41)37(3)23-16-36-24(38(8-10-39)9-11-40)15-21(23)20-6-4-5-7-22(20)29/h4-7,12-16,39-40H,8-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318926
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES COC[C@@H]1C[C@H](CN1c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl)OC |r| Show InChI InChI=1S/C31H32ClF6N3O3/c1-29(2,18-10-19(30(33,34)35)12-20(11-18)31(36,37)38)28(42)40(3)26-15-39-27(14-24(26)23-8-6-7-9-25(23)32)41-16-22(44-5)13-21(41)17-43-4/h6-12,14-15,21-22H,13,16-17H2,1-5H3/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318916
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCCO Show InChI InChI=1S/C29H30ClF6N3O3/c1-27(2,18-13-19(28(31,32)33)15-20(14-18)29(34,35)36)26(42)38(3)24-17-37-25(39(10-12-41)9-6-11-40)16-22(24)21-7-4-5-8-23(21)30/h4-5,7-8,13-17,40-41H,6,9-12H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50178574
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1 Show InChI InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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MCE
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PDB
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| DrugBank
PDB
Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1362-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378490
(CHEMBL565510)Show InChI InChI=1S/C17H14N4O/c22-17(11-5-6-11)16-15-9-21-14(7-8-19-21)12-3-1-2-4-13(12)20(15)10-18-16/h1-4,7-8,10-11H,5-6,9H2 | PDB
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UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311074
(4-fluoro-10-methyl-9H-benzo[f]imidazo[1,5-a][1,2,4...)Show InChI InChI=1S/C13H10FN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3 | PDB
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50178561
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCOCC1 Show InChI InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1362-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318922
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(39)16-40)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311036
(10-chloro-3-(difluoromethyl)-9H-benzo[f]imidazo[1,...)Show InChI InChI=1S/C13H8ClF2N5/c14-11-10-4-21-13(17-5-19-21)8-3-7(12(15)16)1-2-9(8)20(10)6-18-11/h1-3,5-6,12H,4H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50178572
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1nc(ncc1-c1ccccc1C)N1CCN(C)CC1 Show InChI InChI=1S/C29H31F6N5O/c1-18-8-6-7-9-22(18)23-17-36-26(40-12-10-38(4)11-13-40)37-24(23)39(5)25(41)27(2,3)19-14-20(28(30,31)32)16-21(15-19)29(33,34)35/h6-9,14-17H,10-13H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1362-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318928
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(NCCO)cc1-c1ccccc1Cl Show InChI InChI=1S/C26H24ClF6N3O2/c1-24(2,15-10-16(25(28,29)30)12-17(11-15)26(31,32)33)23(38)36(3)21-14-35-22(34-8-9-37)13-19(21)18-6-4-5-7-20(18)27/h4-7,10-14,37H,8-9H2,1-3H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50318925
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318915
(CHEMBL1082737 | N-(6-(bis(2-hydroxyethyl)amino)-4-...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCO Show InChI InChI=1S/C28H28ClF6N3O3/c1-26(2,17-12-18(27(30,31)32)14-19(13-17)28(33,34)35)25(41)37(3)23-16-36-24(38(8-10-39)9-11-40)15-21(23)20-6-4-5-7-22(20)29/h4-7,12-16,39-40H,8-11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50378500
(CHEMBL577411)Show InChI InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor |
Bioorg Med Chem Lett 19: 5746-52 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311075
(4-chloro-10-methyl-9H-benzo[f]imidazo[1,5-a][1,2,4...)Show InChI InChI=1S/C13H10ClN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50310946
(10-methyl-6-((3-methylisoxazol-5-yl)methyl)-9H-ben...)Show SMILES Cc1cc(Cc2nc3-c4cc(O)ccc4-n4cnc(C)c4Cn3n2)on1 Show InChI InChI=1S/C18H16N6O2/c1-10-5-13(26-22-10)7-17-20-18-14-6-12(25)3-4-15(14)23-9-19-11(2)16(23)8-24(18)21-17/h3-6,9,25H,7-8H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor |
Bioorg Med Chem Lett 19: 5958-61 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50311037
(10-chloro-3-cyclopropyl-9H-benzo[f]imidazo[1,5-a][...)Show InChI InChI=1S/C15H12ClN5/c16-14-13-6-21-15(17-7-19-21)11-5-10(9-1-2-9)3-4-12(11)20(13)8-18-14/h3-5,7-9H,1-2,6H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 5940-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50178586
(2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C29H29F6N3O3S/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-42(40,41)12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1362-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50318916
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCCO Show InChI InChI=1S/C29H30ClF6N3O3/c1-27(2,18-13-19(28(31,32)33)15-20(14-18)29(34,35)36)26(42)38(3)24-17-37-25(39(10-12-41)9-6-11-40)16-22(24)21-7-4-5-8-23(21)30/h4-5,7-8,13-17,40-41H,6,9-12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 3405-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50178581
(2'-methyl-5-(4-methyl-piperazin-1-yl)-biphenyl-2-c...)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccc(cc1-c1ccccc1C)N1CCN(C)CC1 Show InChI InChI=1S/C29H29F6N3O/c1-19-6-4-5-7-24(19)26-17-23(38-12-10-36(2)11-13-38)8-9-25(26)27(39)37(3)18-20-14-21(28(30,31)32)16-22(15-20)29(33,34)35/h4-9,14-17H,10-13,18H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 1362-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP |
More data for this
Ligand-Target Pair | |
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